data_2uzg_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 2uzg _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -67.97 -46.14 2.58 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.896 2.397 . . . . 0.0 113.093 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 17.0 m80 -45.47 -54.82 6.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.513 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.423 ' HB3' ' CD1' ' A' ' 103' ' ' LEU . 4.0 pp -74.06 -38.38 63.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -57.29 -21.79 37.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.431 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.8 p -81.45 -43.05 19.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.797 0.332 . . . . 0.0 111.214 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.42 HG23 ' HA ' ' A' ' 42' ' ' LEU . 27.5 m -72.03 158.49 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.18 -133.42 8.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -140.58 152.97 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mt -103.36 148.81 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.8 p -76.93 160.06 29.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -61.04 -32.42 72.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.77 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -59.58 -45.45 91.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.43 -40.34 67.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.079 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.1 mt -68.44 -31.9 71.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.254 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 2.6 tp -54.68 -42.5 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.841 0.353 . . . . 0.0 111.221 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 1.3 mm-40 -68.44 -43.97 75.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.29 -32.34 73.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.076 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.5 p -73.29 -12.59 60.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.434 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.2 mt -62.24 -19.08 62.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.636 0.255 . . . . 0.0 111.105 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.02 48.9 3.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.024 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.408 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 61.0 p -144.05 138.51 28.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.342 . . . . 0.0 110.954 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.7 t -86.83 136.3 33.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.777 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -17.88 60.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.91 -50.86 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 111.14 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.7 p -122.26 -168.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.0 mttt . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.807 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.408 ' CD1' ' N ' ' A' ' 60' ' ' THR . 5.2 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.953 0.406 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.441 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 24.7 m95 -116.18 157.24 25.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.243 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.37 138.97 31.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.056 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.4 t -57.27 128.53 37.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.828 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 103' ' ' LEU . 5.8 tp -82.7 -17.95 42.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.511 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 112.36 0.9 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -51.7 -32.81 31.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.213 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -80.09 -22.4 42.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.3 t -103.62 149.97 24.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 111.227 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 m -142.02 64.61 1.39 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.594 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.52 148.55 37.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.225 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.22 118.9 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.802 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.26 161.18 24.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.795 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 p -103.41 146.79 27.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.303 . . . . 0.0 110.649 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -172.12 25.67 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.128 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -21.12 21.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.709 0.29 . . . . 0.0 111.432 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.4 m -62.2 -17.53 58.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.177 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.74 -72.32 0.66 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.5 t -141.58 12.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 t0 48.73 30.79 2.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -55.38 -35.67 65.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t -60.53 -36.99 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.2 m -70.71 -49.42 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.425 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.9 mt -58.17 -50.94 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.301 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -58.95 -37.3 76.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.133 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 t -59.21 -44.17 92.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.775 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.419 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.56 -48.83 53.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.88 0.371 . . . . 0.0 110.92 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.16 -48.64 53.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.112 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.44 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 42.2 p -104.85 11.85 33.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.8 mttp 57.17 22.02 7.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.635 0.255 . . . . 0.0 111.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.6 m170 -87.79 96.36 10.43 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -89.96 22.12 3.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.806 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 42' ' ' LEU . 3.2 mm? -121.21 117.23 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.933 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.436 HG23 ' CE2' ' A' ' 115' ' ' TYR . 6.6 t -138.15 133.11 32.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.5 p -120.15 125.44 74.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.281 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.3 p30 -78.44 123.51 27.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.16 -9.0 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.576 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.99 -40.95 52.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.769 0.319 . . . . 0.0 111.44 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.08 -4.77 10.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.626 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 mt 62.58 40.58 10.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -114.02 142.64 45.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.744 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.1 t -95.49 150.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -133.25 140.45 47.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.9 t -114.33 111.76 22.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.436 ' CE2' HG23 ' A' ' 104' ' ' THR . 31.7 m-85 -69.27 -42.07 76.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.427 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -59.94 -52.42 65.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.936 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.88 -30.04 68.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.371 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.9 p 76.92 46.84 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.779 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.58 178.58 4.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.47 136.58 32.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.31 170.87 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 31.9 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.002 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.6 -45.08 2.6 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.794 2.329 . . . . 0.0 113.161 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.437 ' CE1' ' CB ' ' A' ' 116' ' ' ALA . 15.6 m80 -46.55 -55.17 7.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.368 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.425 ' HB3' ' CD1' ' A' ' 103' ' ' LEU . 4.0 pp -75.03 -35.44 61.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.909 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -58.64 -21.99 55.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -84.53 -43.18 14.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 111.315 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.33 143.68 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 111.2 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -83.8 -129.52 1.67 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.436 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -139.97 164.56 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.41 ' CG2' ' CB ' ' A' ' 52' ' ' ASP . 32.7 mt -105.18 150.69 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.9 p -80.06 160.06 25.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.716 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -58.59 -42.33 87.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.955 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.83 -36.56 74.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' CB ' ' CG2' ' A' ' 48' ' ' ILE . 5.3 m-20 -72.34 -41.56 66.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.0 mt -71.67 -31.96 67.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.4 mt -58.35 -46.85 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -63.84 -40.79 97.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.999 0.428 . . . . 0.0 110.515 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -69.05 -32.22 71.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.96 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -72.16 -12.42 61.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.61 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.19 -19.09 62.75 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.987 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.47 47.88 3.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.626 -0.797 . . . . 0.0 113.303 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.6 p -144.21 138.22 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.9 t -87.33 142.57 27.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -41.75 40.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.47 -53.2 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.1 p -116.08 172.17 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 tttt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.011 0.434 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.479 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.2 m95 -112.28 147.25 36.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.74 144.43 51.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.01 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 27.6 t -56.38 134.21 53.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 tp -84.82 -18.25 35.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.727 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.39 128.18 27.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.9 0.381 . . . . 0.0 110.994 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -63.1 -37.06 85.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.42 -22.39 41.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.181 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.7 147.77 25.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.915 0.388 . . . . 0.0 111.058 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.47 64.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.422 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -110.8 148.53 32.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.341 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.4 t -109.08 129.66 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.832 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.99 161.51 27.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.781 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 p -103.52 142.88 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.662 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.09 -169.96 8.02 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.936 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.64 -19.78 51.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 111.368 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 t -62.2 -18.45 61.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.111 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -121.67 -70.29 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.986 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.5 t -148.02 18.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.665 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 t0 47.53 32.01 2.23 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.938 0.399 . . . . 0.0 111.234 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.3 -35.18 62.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.4 t -58.65 -39.71 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.363 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.9 m -70.33 -45.44 66.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.2 mt -57.92 -51.02 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.039 0.447 . . . . 0.0 110.251 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.54 -37.72 79.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 t -57.99 -42.63 85.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.633 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.415 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.61 -48.82 53.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.847 0.356 . . . . 0.0 110.959 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -49.12 -48.68 44.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.119 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 47.3 p -106.57 11.79 30.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt 57.71 22.12 8.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.602 0.239 . . . . 0.0 111.274 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 99' ' ' THR . 55.9 m170 -86.85 96.32 10.17 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -88.19 22.75 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.425 ' CD1' ' HB3' ' A' ' 42' ' ' LEU . 4.1 mm? -124.6 117.5 24.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -135.06 133.33 39.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.835 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.2 p -120.44 120.02 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.357 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 3.2 p30 -74.73 121.19 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.484 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -13.57 61.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.505 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -32.02 30.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.603 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.17 -9.45 12.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.524 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.1 mt 62.85 30.77 16.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.194 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -114.15 153.34 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.829 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.47 150.06 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 65.0 t-105 -130.62 141.0 50.43 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.974 0.416 . . . . 0.0 111.384 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 15.7 t -112.48 110.0 19.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.413 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -69.22 -40.64 77.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.573 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.437 ' CB ' ' CE1' ' A' ' 41' ' ' HIS . . . -60.07 -52.64 64.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.942 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.9 m -70.24 -30.13 67.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.46 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.61 49.01 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.656 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.421 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.57 164.06 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.936 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -72.73 144.79 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.6 m -136.14 159.32 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.192 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 27.8 p90 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.58 -46.11 2.07 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.846 2.364 . . . . 0.0 113.226 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.423 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 12.1 m80 -45.65 -55.18 6.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.497 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 pp -77.25 -32.83 55.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.03 -21.8 33.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.182 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.42 -43.18 14.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.322 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.1 136.45 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 111.206 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.49 -120.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.438 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -140.55 153.35 46.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.2 tt -102.0 149.06 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -92.69 160.01 15.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -62.91 -29.32 70.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.06 -46.9 88.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.7 -37.39 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.78 -31.85 70.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.305 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 2.8 tp -54.85 -43.59 68.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 111.274 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.427 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 4.2 mt-30 -68.43 -43.19 77.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -69.13 -32.27 71.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.157 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 p -75.62 -12.46 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.717 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.91 -18.74 61.31 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.139 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.94 45.0 4.01 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.976 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 p -144.14 138.44 28.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.9 t -86.88 138.09 31.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.974 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -26.67 53.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.74 -53.07 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.065 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.0 p -113.98 -176.29 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 tptp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.79 0.329 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.42 ' CE3' HG22 ' A' ' 104' ' ' THR . 31.7 m95 -121.78 155.14 35.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -136.21 140.04 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 33.7 t -58.49 134.85 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 103' ' ' LEU . 4.3 tp -87.85 -19.81 26.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.636 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.27 117.18 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.955 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -53.08 -39.55 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.347 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -10.9 59.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.449 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.3 t -114.11 150.1 34.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.976 0.417 . . . . 0.0 111.141 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -146.99 60.17 1.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.349 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -107.06 145.69 32.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.453 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.9 t -102.86 124.66 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.65 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.58 159.18 24.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.77 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.9 p -103.39 142.05 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 110.718 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.4 -164.56 9.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.952 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -19.84 54.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.723 0.296 . . . . 0.0 111.347 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -16.67 56.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.249 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -125.09 -73.25 0.64 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.61 0.243 . . . . 0.0 111.474 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.6 t -145.34 17.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.09 31.89 12.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.793 0.33 . . . . 0.0 110.999 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.64 -37.59 65.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.769 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -36.89 75.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.432 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -70.7 -48.3 55.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.444 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.9 mt -59.14 -51.54 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.372 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -58.36 -37.07 74.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.078 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -59.35 -45.71 90.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.763 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -48.78 53.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.872 0.368 . . . . 0.0 111.108 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -48.62 56.68 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.455 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.4 p -101.28 9.11 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt 60.44 22.0 11.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.683 0.278 . . . . 0.0 111.094 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 99' ' ' THR . 49.8 m170 -90.08 96.38 10.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -86.57 10.65 14.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 3.6 mm? -114.49 117.76 31.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.033 0.444 . . . . 0.0 111.239 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.42 HG22 ' CE3' ' A' ' 72' ' ' TRP . 10.0 t -132.51 135.72 46.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.473 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.5 p -120.39 118.66 57.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.889 0.376 . . . . 0.0 111.491 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -69.0 120.12 14.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.418 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -7.49 49.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.8 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.89 -41.12 26.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.795 0.331 . . . . 0.0 111.362 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.04 -0.21 11.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.663 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.9 mt 58.93 42.53 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.11 137.92 51.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.1 t -92.5 150.1 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -137.67 143.75 41.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 111.292 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.5 t -111.69 110.52 20.95 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.586 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -69.23 -42.18 76.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.591 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.423 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -62.47 -52.68 62.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 111.185 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.5 m -69.95 -30.19 67.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.3 m 76.09 54.46 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.619 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.95 166.27 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.991 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.57 134.27 35.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.7 m -124.2 -179.57 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 43.5 p90 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.363 0 CA-C-O 120.705 0.288 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.05 -44.27 4.01 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.774 2.316 . . . . 0.0 113.108 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 18.0 m80 -46.85 -55.22 8.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.457 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.428 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 4.1 pp -76.78 -31.67 57.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.923 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.18 -22.13 64.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.946 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -86.07 -43.17 13.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.193 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 42' ' ' LEU . 36.0 m -74.65 127.12 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.32 -149.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.594 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -114.74 163.33 15.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.6 tt -104.08 142.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -80.62 159.97 25.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.036 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -43.25 97.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.81 -34.15 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.764 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.39 -42.51 65.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.626 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 mt -71.6 -31.8 67.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.2 mt -55.29 -47.04 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -40.13 95.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 110.389 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -68.95 -32.19 71.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.194 0.521 . . . . 0.0 109.936 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 p -70.77 -12.63 61.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.669 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 mt -61.91 -19.02 62.25 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.936 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.32 46.37 5.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.198 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.411 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 1.6 m -144.46 138.5 27.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.825 0.345 . . . . 0.0 111.031 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.6 t -87.08 140.64 29.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.02 -31.32 56.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.318 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.436 ' HB3' ' CE1' ' A' ' 91' ' ' HIS . 1.2 t0 -78.72 -53.18 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.273 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.3 p -115.83 -179.95 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.057 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.744 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.411 ' CD1' ' N ' ' A' ' 60' ' ' THR . 5.1 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.951 0.405 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.416 ' CE3' HG22 ' A' ' 104' ' ' THR . 22.5 m95 -114.19 159.01 20.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.992 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.43 140.76 32.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.2 t -56.43 131.19 47.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.775 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.0 tp -81.76 -21.63 37.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.483 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 114.46 1.53 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 110.956 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -54.53 -35.5 63.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -76.14 -26.87 56.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -96.56 149.98 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 t -142.71 68.02 1.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.704 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -120.35 144.97 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.056 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.6 t -111.11 120.37 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.784 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.35 162.94 24.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.778 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.7 p -103.43 146.48 28.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 0.0 110.741 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.76 -163.0 8.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.943 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 pm0 -60.89 -17.55 51.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.594 0.235 . . . . 0.0 111.477 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.5 m -62.23 -18.98 62.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.687 0.28 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -122.36 -72.0 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.5 t -147.87 20.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.485 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 49.26 35.4 7.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.922 0.392 . . . . 0.0 111.177 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 63' ' ' ASP . 2.0 m170 -55.16 -37.24 66.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.705 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -59.57 -36.33 76.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.448 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.3 m -71.16 -49.23 46.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.549 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.03 -50.48 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.262 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -59.39 -37.6 78.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.097 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 t -58.82 -43.26 90.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.78 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.423 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.61 -48.8 53.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -49.52 -48.6 48.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.976 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.44 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.8 p -106.55 12.39 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt 57.02 22.13 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.612 0.244 . . . . 0.0 111.461 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 99' ' ' THR . 57.7 m170 -86.64 96.31 10.07 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -90.1 21.08 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.766 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.428 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 2.5 mm? -123.22 116.87 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.416 HG22 ' CE3' ' A' ' 72' ' ' TRP . 7.1 t -137.88 139.48 39.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.861 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.7 p -120.2 126.27 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.428 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -83.14 120.96 26.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.458 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -10.04 59.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.58 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.64 -35.85 52.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.73 0.3 . . . . 0.0 111.308 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.12 -3.9 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.502 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.6 mt 60.39 35.72 20.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.805 0.336 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -114.05 159.34 20.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.6 t -111.72 150.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.415 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 76.6 t-105 -130.91 139.34 50.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.8 110.33 18.92 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.639 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -69.15 -42.04 76.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.618 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -59.67 -52.55 65.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.975 0.416 . . . . 0.0 110.936 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.1 m -69.21 -30.12 68.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.496 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 p 77.29 47.68 0.06 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.814 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.415 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -171.26 171.32 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.04 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -85.59 143.41 28.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.7 m -127.11 164.43 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 29.4 p90 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.84 -45.68 2.04 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.761 2.308 . . . . 0.0 113.1 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.434 ' CE1' ' HB1' ' A' ' 116' ' ' ALA . 16.4 m80 -46.43 -55.12 7.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.786 0.327 . . . . 0.0 111.41 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.426 ' HA ' HG23 ' A' ' 45' ' ' VAL . 3.9 pp -74.06 -36.28 64.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.847 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.86 -21.91 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.247 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 p -82.64 -43.18 17.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.245 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.426 HG23 ' HA ' ' A' ' 42' ' ' LEU . 27.6 m -71.89 170.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.367 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.64 -139.28 8.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.461 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -140.35 150.32 43.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 48' ' ' ILE . 31.8 mt -96.79 152.7 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 p -81.32 159.96 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -30.46 70.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.73 -41.94 95.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.44 -44.18 62.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.058 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.5 mt -65.06 -31.85 73.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 0.4 OUTLIER -53.87 -42.48 53.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 111.141 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.402 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 4.6 mt-30 -67.93 -42.22 81.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.653 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -68.87 -32.28 71.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.92 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.7 p -72.03 -12.33 61.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.623 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.98 -19.06 62.39 Favored 'General case' 0 CA--C 1.528 0.098 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.988 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.79 47.03 2.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.606 -0.806 . . . . 0.0 113.41 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.405 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 16.7 p -144.18 137.96 27.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.8 t -87.37 141.77 28.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -34.33 55.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.441 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -75.09 -53.14 9.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.462 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.3 p -126.64 -176.58 3.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.108 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.6 mttm . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.589 179.727 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.405 ' CD1' ' N ' ' A' ' 60' ' ' THR . 6.0 mt . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.954 0.407 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.48 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.8 m95 -109.58 141.76 41.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.56 144.41 49.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.3 t -56.76 137.04 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.8 tp -87.09 -16.17 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.921 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.5 OUTLIER -53.34 135.67 38.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.829 0.347 . . . . 0.0 110.939 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -64.86 -37.75 88.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -25.41 27.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.298 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.7 t -98.37 130.01 45.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.133 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -132.96 62.32 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.421 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -105.06 148.57 26.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.286 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.3 t -108.79 119.8 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.712 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -131.31 162.86 23.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.751 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.9 p -103.42 148.66 25.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.765 0.316 . . . . 0.0 110.621 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.78 -159.55 24.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.837 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -19.01 26.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.538 0.208 . . . . 0.0 111.452 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.3 t -62.09 -18.06 59.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.255 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -126.89 -77.49 0.58 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.751 0.31 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.1 t -142.59 16.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.608 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.64 37.1 19.05 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.94 0.4 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -54.71 -37.75 66.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.715 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -59.18 -36.67 75.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.581 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 88.0 m -71.26 -53.06 15.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.573 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.417 HD11 HG22 ' A' ' 94' ' ' ILE . 3.7 mt -56.11 -48.86 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.333 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -59.87 -38.09 81.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.0 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.2 t -58.04 -43.85 87.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.807 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 93' ' ' THR . 0.6 OUTLIER -70.84 -48.66 52.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.88 0.371 . . . . 0.0 111.176 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -48.61 53.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.339 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.4 p -102.62 10.08 38.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.86 21.93 10.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.727 0.299 . . . . 0.0 111.269 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 99' ' ' THR . 49.5 m170 -89.75 96.12 10.55 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -89.73 21.79 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 2.8 mm? -122.48 116.4 23.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.928 0.394 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.416 HG23 ' CE2' ' A' ' 115' ' ' TYR . 7.4 t -133.65 129.32 36.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.694 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.3 p -120.37 123.89 71.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.933 0.397 . . . . 0.0 111.473 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 6.9 p30 -76.75 124.11 27.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.382 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.51 -15.99 61.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.729 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -34.3 28.59 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.01 -11.09 14.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.1 mt 62.14 30.98 17.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -114.14 138.58 50.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 22.0 t -99.22 150.13 5.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.302 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -129.57 139.31 51.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.8 t -110.68 109.22 19.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.666 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.416 ' CE2' HG23 ' A' ' 104' ' ' THR . 36.3 m-85 -69.3 -41.47 76.71 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.657 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.434 ' HB1' ' CE1' ' A' ' 41' ' ' HIS . . . -59.83 -52.63 64.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.8 m -70.37 -30.12 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.03 51.19 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.544 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.81 -177.89 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.024 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -93.51 144.81 25.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.6 m -136.78 161.22 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.9 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 120.727 0.299 . . . . 0.0 110.691 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.83 -44.04 8.58 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.757 2.304 . . . . 0.0 113.248 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 20.5 m80 -47.57 -55.41 9.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.391 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.441 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 3.9 pp -73.23 -33.82 65.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 0.0 110.969 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -55.42 -21.86 17.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.322 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -83.77 -43.1 15.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.689 0.281 . . . . 0.0 111.284 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.4 HG23 ' HA ' ' A' ' 42' ' ' LEU . 21.4 m -69.09 146.87 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.109 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.97 -123.44 0.83 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.43 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -139.06 162.41 35.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -102.26 137.49 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 p -76.83 159.94 29.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.33 -45.48 94.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.715 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.74 -32.85 69.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.39 -42.43 65.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.59 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.71 -31.98 67.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.8 mt -57.9 -45.6 87.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.812 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -66.44 -41.35 89.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.621 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -69.01 -32.23 71.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.065 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.7 p -71.82 -12.82 61.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.423 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.1 mt -62.29 -19.07 62.89 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.603 0.24 . . . . 0.0 110.999 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.5 45.0 5.09 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.986 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.5 p -144.09 138.72 28.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.972 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.5 t -86.8 143.01 27.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -30.05 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.149 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.58 -53.15 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.189 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.3 p -120.73 -169.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.857 0.361 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.404 ' CE3' HG22 ' A' ' 104' ' ' THR . 30.8 m95 -112.96 160.74 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.14 140.84 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.3 t -58.52 133.69 56.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.67 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.5 tp -84.49 -17.4 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.897 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.41 133.0 45.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -65.29 -40.77 94.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.003 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -79.14 -16.01 57.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.281 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 t -109.22 123.94 50.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.897 0.379 . . . . 0.0 111.276 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.54 57.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.437 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -104.66 147.81 27.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.404 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 t -105.03 128.5 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.793 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.84 159.12 26.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.1 p -103.43 135.44 45.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.784 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.16 -159.89 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.815 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.43 -16.41 62.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.66 0.267 . . . . 0.0 111.491 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -62.33 -17.81 59.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.38 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -125.21 -78.13 0.6 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.629 0.252 . . . . 0.0 111.341 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 t -136.96 18.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.746 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.13 30.44 9.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.737 0.303 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -54.22 -38.66 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 m -59.21 -36.17 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.659 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -51.0 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.648 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.33 -49.59 79.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.308 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -59.07 -39.13 81.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.141 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -58.01 -43.75 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.778 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.424 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.79 -48.74 52.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.876 0.37 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -50.26 -48.7 54.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.116 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.447 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 45.7 p -103.71 10.75 36.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.1 mttm 58.23 22.04 8.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.701 0.286 . . . . 0.0 111.29 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 99' ' ' THR . 54.7 m170 -87.85 96.38 10.45 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -91.56 30.0 1.4 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.655 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 3.6 mm? -136.09 117.99 15.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.404 HG22 ' CE3' ' A' ' 72' ' ' TRP . 8.0 t -135.79 144.32 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.5 p -120.17 122.91 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.326 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -82.47 121.54 26.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.31 -9.7 58.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.54 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.1 m -75.74 -43.02 48.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 111.28 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.05 3.46 11.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.7 mt 55.94 38.27 29.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.793 0.33 . . . . 0.0 111.231 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -114.01 151.68 32.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.9 t -106.57 150.24 9.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.411 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 69.3 t-105 -129.59 140.09 51.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.447 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.2 t -114.07 111.27 21.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.352 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -69.18 -41.14 77.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.629 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.427 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -60.18 -52.62 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 111.015 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 m -69.63 -30.26 67.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.506 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 77.39 51.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.676 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.411 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.55 171.76 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.909 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -85.89 133.08 33.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.72 165.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 28.8 p90 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 120.767 0.318 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.21 -45.59 3.7 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.794 2.33 . . . . 0.0 113.193 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.439 ' CE1' ' CB ' ' A' ' 116' ' ' ALA . 16.5 m80 -46.49 -55.15 7.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.457 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.447 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 4.0 pp -75.23 -32.88 61.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.888 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -57.83 -22.04 45.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.078 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.33 -43.17 11.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.6 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.4 m -72.72 136.0 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.887 0.375 . . . . 0.0 111.067 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.94 -149.56 8.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -119.77 165.22 14.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.916 0.389 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mt -107.28 150.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 p -78.28 160.01 28.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -61.24 -32.93 72.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -43.56 98.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -38.87 67.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.025 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.4 mt -71.73 -31.95 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.431 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -55.43 -43.8 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.78 0.324 . . . . 0.0 111.04 -179.737 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -68.6 -39.14 81.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.558 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HG2' ' CG2' ' A' ' 82' ' ' VAL . 48.4 mttt -67.98 -32.38 72.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.184 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.9 p -71.82 -12.9 61.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.401 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.53 -19.1 63.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.642 0.258 . . . . 0.0 111.069 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.78 49.05 4.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 113.043 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.0 p -144.26 138.45 27.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 111.004 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.3 t -86.91 137.65 32.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -77.16 -31.5 55.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.64 -53.07 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.224 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -126.24 -169.17 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.955 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 mttt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.788 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.799 0.333 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -114.96 120.64 40.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.48 144.06 34.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.3 t -58.93 144.13 45.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.763 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.1 tp -95.82 -15.53 22.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.933 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.4 133.83 40.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.906 0.384 . . . . 0.0 110.968 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -60.38 -40.55 91.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.036 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -85.06 -15.55 43.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.457 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.68 119.92 40.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 111.435 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -124.26 43.35 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.44 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -79.69 148.59 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.372 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.41 ' CG2' ' HG2' ' A' ' 56' ' ' LYS . 4.5 t -105.99 122.93 60.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.739 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.01 166.55 24.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.77 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.7 p -107.62 140.71 40.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 110.68 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.34 -176.24 10.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.99 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.15 -21.87 48.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.653 0.264 . . . . 0.0 111.263 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.31 -18.24 60.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.181 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -120.43 -66.27 1.07 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.221 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.0 t -148.6 20.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.661 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 43.85 30.4 0.39 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.77 0.319 . . . . 0.0 111.52 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -36.91 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.392 . . . . 0.0 110.684 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.3 t -61.5 -35.56 78.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.0 m -71.09 -52.37 19.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.63 -49.36 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.246 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -58.64 -39.19 79.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.07 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.2 t -58.48 -42.76 88.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.62 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.419 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.59 -48.96 52.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.927 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.1 -48.59 53.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.053 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.441 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 54.1 p -104.78 10.78 34.45 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp 58.05 22.01 8.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.582 0.23 . . . . 0.0 111.383 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 99' ' ' THR . 52.3 m170 -87.06 96.2 10.21 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -89.22 19.02 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.916 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.447 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 4.5 mm? -125.26 119.51 28.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.043 0.449 . . . . 0.0 111.236 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.6 t -134.12 141.86 47.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.753 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.5 p -120.36 113.19 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.265 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -69.43 120.44 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.499 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.24 -8.55 55.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.555 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -76.59 -42.99 40.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.273 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.08 2.51 11.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.617 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.3 mt 58.85 32.93 22.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.795 0.331 . . . . 0.0 111.072 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -105.92 149.33 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.6 t -105.92 150.03 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.212 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.419 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 57.1 t-105 -131.92 143.59 50.24 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.8 t -114.53 112.81 23.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.679 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -69.43 -42.14 75.39 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.45 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.439 ' CB ' ' CE1' ' A' ' 41' ' ' HIS . . . -60.8 -52.72 63.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.813 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.3 m -68.97 -30.16 68.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.205 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 74.52 55.06 0.08 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.589 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.419 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -173.64 -178.88 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.61 142.0 28.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.48 161.93 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.184 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 22.3 p90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.355 0 CA-C-O 120.863 0.363 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.32 -45.59 3.59 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.828 2.352 . . . . 0.0 113.11 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.446 ' CE1' ' CB ' ' A' ' 116' ' ' ALA . 15.6 m80 -46.63 -55.3 7.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.493 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.419 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 4.2 pp -74.79 -32.86 62.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.905 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.42 -22.06 40.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.203 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -87.01 -43.21 12.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.399 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.38 135.91 26.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.869 0.366 . . . . 0.0 111.271 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.93 -123.7 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.589 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -140.62 164.09 31.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 111.069 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -99.45 139.02 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 p -76.84 159.87 29.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -62.65 -42.79 99.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.621 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -58.84 -32.82 69.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.35 -50.25 28.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' HA ' HD21 ' A' ' 53' ' ' LEU . 99.2 mt -63.82 -31.98 73.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.1 mt -53.9 -44.18 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.07 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -40.06 80.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.618 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' CD ' ' CB ' ' A' ' 73' ' ' ALA . 15.5 mttt -68.98 -32.2 71.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.923 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -70.82 -12.69 61.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.448 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.4 mt -62.17 -19.05 62.68 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.974 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.01 41.69 5.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.199 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.6 p -144.14 138.36 28.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.34 . . . . 0.0 110.945 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.14 140.52 29.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -77.09 -32.18 56.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -74.94 -53.05 9.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.0 p -122.52 175.68 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.064 0.459 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.441 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 37.6 m95 -105.52 159.32 16.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.412 ' CB ' ' CD ' ' A' ' 56' ' ' LYS . . . -142.88 144.66 32.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.0 t -61.43 132.7 54.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.531 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.2 tp -85.04 -17.35 37.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.71 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -53.41 125.41 17.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -60.71 -37.42 81.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -20.02 46.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.195 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.05 150.0 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.069 0.461 . . . . 0.0 111.286 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.6 m -145.49 59.7 1.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.209 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.24 142.21 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.401 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.0 t -104.8 119.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.61 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.0 162.09 25.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.091 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.9 p -103.42 148.43 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.685 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.1 -169.21 31.13 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.053 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.45 -21.79 39.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 111.299 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.4 m -62.23 -17.2 57.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.31 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.99 -70.72 0.74 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.228 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.4 t -146.83 16.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 t0 47.4 33.49 2.78 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.943 0.401 . . . . 0.0 111.25 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -55.45 -35.56 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.614 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -60.74 -36.57 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.543 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.0 m -71.43 -48.9 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.422 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.15 -51.51 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.957 0.408 . . . . 0.0 110.367 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.11 -35.9 76.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.014 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -59.67 -42.26 92.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.825 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.415 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.75 -48.83 52.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.829 0.347 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.32 -48.67 55.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.076 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 52.1 p -103.59 10.45 36.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm 58.05 22.14 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 111.289 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 99' ' ' THR . 54.7 m170 -87.32 96.5 10.37 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -91.53 29.89 1.41 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.562 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 3.2 mm? -132.55 117.35 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 0.0 110.863 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.423 HG22 ' CE3' ' A' ' 72' ' ' TRP . 4.7 t -135.29 137.54 42.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.9 p -120.41 125.35 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.088 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 9.7 p30 -81.19 123.54 28.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.52 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.29 -16.88 61.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.44 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -27.09 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.753 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.93 -10.26 11.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.603 0.24 . . . . 0.0 111.583 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.8 mt 60.77 29.61 19.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.792 0.329 . . . . 0.0 111.051 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -114.07 158.33 21.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.82 150.18 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 69.0 t-105 -131.1 140.37 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.967 0.413 . . . . 0.0 111.39 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.0 t -113.09 112.33 23.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -69.24 -42.06 76.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.602 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.446 ' CB ' ' CE1' ' A' ' 41' ' ' HIS . . . -60.96 -52.61 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 111.106 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.8 m -69.93 -30.05 67.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.419 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.26 52.0 0.05 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.768 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.421 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.3 OUTLIER -176.51 170.16 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.85 136.33 34.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.785 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 m -126.1 168.89 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.0 p90 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.13 -44.24 2.64 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.776 2.317 . . . . 0.0 113.088 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.419 ' CE1' ' HB1' ' A' ' 116' ' ' ALA . 18.5 m80 -46.44 -55.17 7.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.457 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.82 -36.45 59.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -59.66 -22.09 61.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.152 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.3 p -85.21 -43.04 14.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 111.311 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.2 m -76.14 156.92 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.215 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.03 155.38 16.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.33 157.04 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.406 HG23 HD11 ' A' ' 48' ' ' ILE . 31.7 mt -100.1 148.78 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.1 p -76.93 160.54 29.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -61.92 -30.2 70.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.3 -46.86 86.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.67 -35.77 67.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.42 -31.81 67.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 2.6 tp -53.36 -42.39 47.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.414 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 1.2 mp0 -68.55 -40.79 80.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.518 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -69.15 -32.24 71.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.074 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 p -72.58 -12.76 61.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.585 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.22 -19.11 62.82 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.695 0.283 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.43 50.99 3.42 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.984 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.9 p -144.25 138.56 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.0 t -86.95 142.7 27.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.773 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -28.06 54.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.23 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -89.38 -52.16 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.106 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.9 p -118.56 -164.26 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.882 0.372 . . . . 0.0 110.746 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.831 0.348 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 24.5 m95 -107.47 159.08 16.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.34 143.3 35.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.2 t -58.69 133.05 55.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.7 tp -83.49 -20.2 34.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.503 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.34 119.9 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 110.993 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.05 -35.25 71.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -78.59 -28.07 45.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -94.3 149.31 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 p -142.3 50.34 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.565 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -99.32 146.29 26.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.211 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 t -112.47 128.83 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.712 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.33 164.4 26.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.786 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.0 p -103.45 140.45 37.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.655 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.96 -171.16 2.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.845 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -17.04 62.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.65 0.262 . . . . 0.0 111.315 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -18.74 62.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.063 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.36 -70.85 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.069 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.7 t -143.76 16.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.644 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.46 32.5 3.36 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.917 0.389 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -37.18 65.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.655 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -36.37 78.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 85.8 m -70.15 -49.53 49.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.34 -49.59 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.304 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -58.57 -39.23 79.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.997 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.7 t -58.39 -41.7 85.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.691 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.51 -48.76 54.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.905 0.383 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.32 -48.61 55.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.907 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.474 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 58.8 p -108.43 17.67 21.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.538 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 99' ' ' THR . 6.9 ptpt 50.93 23.32 1.42 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 99' ' ' THR . 63.9 m170 -83.65 95.95 8.53 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.403 ' HB3' ' HB2' ' A' ' 115' ' ' TYR . 17.8 m-85 -88.44 14.07 10.49 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 2.5 mm? -116.54 117.17 29.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.809 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.408 HG22 ' CE3' ' A' ' 72' ' ' TRP . 5.0 t -136.64 138.96 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.2 p -120.89 125.37 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.352 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 2.7 p30 -81.19 121.81 26.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.651 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.32 -11.48 60.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.659 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -40.2 22.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.743 0.306 . . . . 0.0 111.724 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.31 -6.79 14.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.715 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.7 mt 60.5 35.16 20.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -114.08 149.73 35.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.9 t -102.49 150.17 6.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.223 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.41 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 75.8 t-105 -131.22 141.16 49.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.5 t -118.07 108.91 15.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.694 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 54.5 m-85 -69.23 -39.76 78.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.457 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.419 ' HB1' ' CE1' ' A' ' 41' ' ' HIS . . . -60.86 -52.71 63.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.98 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.7 m -69.11 -30.07 68.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.452 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 m 77.83 50.43 0.04 OUTLIER 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.41 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.57 174.81 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.954 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.78 142.83 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.1 m -127.79 178.11 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.4 p90 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.383 0 CA-C-O 120.688 0.28 . . . . 0.0 110.536 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.38 -43.05 3.23 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.688 2.259 . . . . 0.0 113.169 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.411 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 19.2 m80 -47.51 -55.14 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.282 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.35 -36.03 61.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.881 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.33 -21.99 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.316 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -85.97 -43.1 13.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.293 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.91 155.34 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 111.267 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.18 -130.82 3.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.451 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.58 153.18 46.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.335 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.8 mm -91.59 142.64 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.4 p -78.96 160.07 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.758 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.61 -47.45 85.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.795 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.86 -31.26 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.23 -51.0 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.9 mt -62.75 -32.46 73.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.8 mm -55.81 -44.0 76.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -47.65 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.373 . . . . 0.0 110.731 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -64.59 -32.18 73.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.18 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 p -72.4 -12.44 61.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.529 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.06 -19.0 62.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.641 0.258 . . . . 0.0 111.021 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.95 45.89 4.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.378 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.2 p -144.23 138.16 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.97 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.4 t -87.12 138.84 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.783 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.11 -27.71 54.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -53.04 5.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.218 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.6 p -121.12 -165.73 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.808 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.881 0.372 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -117.16 133.73 55.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.029 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.86 145.69 45.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.001 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.6 t -57.22 140.16 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.714 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.1 tp -90.59 -15.51 30.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.836 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.428 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 7.2 tp10 -53.47 142.8 21.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.712 0.291 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -70.51 -38.35 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -26.51 27.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.428 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.5 t -96.19 135.6 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.952 0.406 . . . . 0.0 111.172 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.15 48.63 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.232 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -84.36 148.32 26.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.411 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.9 t -111.52 116.49 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.655 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -132.82 167.59 23.19 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.914 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 p -107.02 144.49 33.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.52 -173.62 13.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.933 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -20.69 47.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.59 0.233 . . . . 0.0 111.259 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.24 -19.03 62.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.047 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.81 -67.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.955 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.0 t -148.98 17.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.778 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t0 46.76 30.93 1.28 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.897 0.379 . . . . 0.0 111.167 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.23 -38.33 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.708 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -36.93 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.525 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.423 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 26.8 m -70.22 -52.7 21.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.52 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.5 -47.76 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.385 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.96 -38.87 83.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.087 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.2 t -57.98 -43.67 86.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.758 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 93' ' ' THR . 0.7 OUTLIER -70.84 -48.71 52.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.931 0.396 . . . . 0.0 111.076 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -48.6 55.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.193 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.441 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.2 p -103.32 10.41 37.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.2 mttm 59.17 21.87 10.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.65 0.262 . . . . 0.0 111.263 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 99' ' ' THR . 52.8 m170 -89.37 96.15 10.59 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -89.71 22.78 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.679 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 103' ' ' LEU . 3.0 mm? -124.03 117.17 24.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.919 0.39 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.6 t -138.02 135.88 36.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.675 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.0 p -120.16 121.57 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.354 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -76.28 120.82 22.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.432 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.27 -8.28 53.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.791 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 m -81.1 -34.54 32.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.715 0.293 . . . . 0.0 111.261 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.61 -8.1 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.567 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 mt 63.66 33.36 13.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 0.0 110.976 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.1 138.79 49.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.91 150.23 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.403 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 65.1 t-105 -131.6 142.42 49.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.337 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.3 t -114.74 111.94 22.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.63 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -69.3 -42.05 75.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.53 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -60.66 -52.49 64.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.965 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.3 -30.1 69.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.462 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.7 p 77.15 47.71 0.06 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.403 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -171.89 173.06 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.958 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -83.36 148.34 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.974 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 m -136.14 169.35 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.398 0 CA-C-O 120.769 0.318 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.42 -44.01 3.74 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.686 2.257 . . . . 0.0 113.185 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 17.4 m80 -47.26 -55.16 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.686 0.279 . . . . 0.0 111.331 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 4.1 pp -75.98 -32.51 59.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.95 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -62.3 -22.16 65.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.235 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.0 p -85.18 -43.3 13.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.197 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.71 126.11 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.63 -171.88 0.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.44 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.12 145.09 26.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.3 tt -87.92 146.7 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -88.67 160.1 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -59.58 -44.54 93.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.77 -33.09 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.775 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.31 -43.5 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.752 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.3 mt -70.9 -32.04 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.041 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.7 mt -55.15 -41.77 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.11 -47.88 75.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 110.525 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -65.86 -32.18 73.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.857 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 p -71.48 -12.44 61.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.533 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.96 -19.07 62.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.94 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.85 44.35 4.84 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.3 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.5 p -144.15 138.19 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.014 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.7 t -87.25 144.36 26.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.794 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -34.09 56.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.233 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -81.31 -53.17 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.199 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.5 p -121.2 -165.24 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.876 0.369 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -114.19 160.03 19.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.99 141.05 31.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.35 132.69 51.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.781 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 tp -84.63 -15.12 46.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.625 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.42 134.07 53.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -65.94 -40.09 91.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.35 -24.52 50.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -100.06 134.25 43.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 111.166 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 t -127.89 39.85 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.375 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -87.82 148.55 24.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.286 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.7 t -113.85 129.53 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.677 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -142.99 161.33 27.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.882 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.7 p -103.52 142.63 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.706 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.66 -164.94 6.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.065 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.86 -18.83 47.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.595 0.236 . . . . 0.0 111.468 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -62.13 -18.18 60.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.727 0.298 . . . . 0.0 111.145 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -122.89 -73.12 0.66 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.9 t -144.35 17.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.642 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.1 t0 52.63 32.06 11.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.41 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -54.68 -37.12 65.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.671 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -36.79 77.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.565 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 92.1 m -71.27 -49.84 38.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.499 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.16 -50.61 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.258 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -59.33 -37.78 78.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.071 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.2 t -58.73 -42.9 89.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.727 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.416 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.64 -48.89 52.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.841 0.353 . . . . 0.0 110.933 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.05 -48.68 52.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.06 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.442 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 49.0 p -105.24 11.91 32.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mttp 56.99 22.17 6.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.685 0.278 . . . . 0.0 111.285 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.1 m170 -87.51 96.39 10.38 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -90.84 29.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.67 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.433 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 3.4 mm? -132.26 117.19 17.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.853 0.358 . . . . 0.0 111.016 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.3 t -134.16 139.15 45.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.739 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.6 p -120.17 120.62 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 0.0 111.285 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -80.87 119.69 23.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.585 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -11.91 60.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.55 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -45.34 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.163 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.06 -0.08 11.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.548 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.7 mt 62.27 40.97 10.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.809 0.338 . . . . 0.0 111.092 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.14 148.28 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.8 t -105.09 150.13 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.034 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 73.7 t-105 -131.39 140.09 49.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 111.298 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.5 t -115.03 110.86 20.23 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.556 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -69.24 -42.06 76.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.554 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -59.77 -52.54 65.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.907 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.7 m -69.25 -30.19 68.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.327 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 m 76.19 51.93 0.06 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.718 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.61 178.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -85.38 149.48 25.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.7 m -138.89 164.75 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 17.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.353 0 CA-C-O 120.711 0.291 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.03 -45.4 3.02 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.714 2.276 . . . . 0.0 113.132 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 13.8 m80 -45.8 -54.98 7.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.482 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HA ' HG23 ' A' ' 45' ' ' VAL . 4.2 pp -73.45 -39.11 65.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.82 -21.73 31.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.394 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 t -80.87 -43.09 20.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.745 0.307 . . . . 0.0 111.157 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.416 HG23 ' HA ' ' A' ' 42' ' ' LEU . 35.4 m -66.39 157.13 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.153 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.23 -129.02 2.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -140.57 157.98 44.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.332 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.8 tt -110.25 144.6 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 p -94.2 159.91 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.999 0.428 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -29.56 70.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -46.79 87.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -72.55 -44.65 61.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.3 mt -59.5 -31.79 69.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.389 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -57.66 -44.29 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.35 . . . . 0.0 111.039 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 2.8 tm0? -69.02 -40.9 78.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -69.05 -32.45 71.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.947 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -70.76 -12.49 61.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.382 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.89 -19.07 62.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.708 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.7 51.32 3.09 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.42 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.7 p -144.18 138.34 28.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.922 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.4 t -87.24 138.17 31.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.816 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -30.06 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.136 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -78.47 -53.07 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.183 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.0 p -125.25 -174.4 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.032 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.737 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.011 0.434 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -109.24 145.43 35.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.92 136.59 47.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.82 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.75 131.99 48.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.955 0.407 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.5 tp -84.71 -14.15 49.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.797 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.83 134.91 48.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.791 0.329 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -65.93 -38.49 88.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.075 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -19.36 37.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.314 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -106.02 125.13 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 111.168 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -123.12 43.37 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -90.18 148.11 23.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.269 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.6 t -114.27 127.66 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.85 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -135.15 165.56 24.63 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.809 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.6 p -103.34 144.68 31.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.708 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.5 -163.32 5.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.88 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -13.42 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.544 0.211 . . . . 0.0 111.529 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -17.57 58.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.187 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.4 -76.82 0.56 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.597 0.237 . . . . 0.0 111.214 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.0 t -135.81 14.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.864 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 t0 50.87 37.19 16.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.891 0.377 . . . . 0.0 110.833 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -54.34 -36.58 63.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.707 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -37.5 81.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.563 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.1 m -70.83 -52.57 19.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.744 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.17 -49.82 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.012 0.434 . . . . 0.0 110.392 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -58.2 -39.49 79.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.174 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 t -58.24 -44.48 88.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.832 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.419 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -70.75 -48.9 51.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.897 0.38 . . . . 0.0 111.071 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.42 -48.62 56.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.214 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 41.5 p -103.62 11.65 35.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 57.83 21.99 8.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.795 0.331 . . . . 0.0 111.274 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 99' ' ' THR . 58.2 m170 -88.38 96.35 10.56 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -90.79 22.77 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.674 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.41 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 2.8 mm? -123.01 117.01 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.911 0.386 . . . . 0.0 110.788 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.4 t -139.04 132.43 30.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.3 p -120.19 122.49 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 111.391 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -78.45 126.35 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.212 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -34.66 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.714 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.03 -30.74 70.03 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.98 -15.79 14.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.658 0.266 . . . . 0.0 111.518 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.3 mt 62.39 28.22 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.298 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -114.34 150.71 34.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.029 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 t -104.28 146.09 12.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.426 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 71.7 t-105 -127.38 142.54 51.4 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 111.57 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 25.5 t -118.17 111.34 18.71 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.442 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -69.29 -42.06 75.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.709 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -58.39 -52.63 64.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.986 0.422 . . . . 0.0 110.715 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.5 m -69.81 -30.05 67.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.057 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.2 m 74.67 51.78 0.09 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.719 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.426 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 1.9 ptmt -176.53 178.26 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.406 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.47 147.51 30.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.649 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.3 m -147.0 166.6 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.931 0.396 . . . . 0.0 111.293 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.843 179.862 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 120.746 0.308 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.12 -42.47 3.0 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.74 2.294 . . . . 0.0 113.141 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 21.3 m80 -48.34 -55.34 10.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.341 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 4.1 pp -75.66 -36.12 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.008 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -55.05 -21.93 14.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.524 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.34 -43.02 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 111.388 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.7 m -67.24 -176.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.398 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.54 -136.04 4.54 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.402 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -140.58 154.75 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.331 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.8 mt -105.25 150.55 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.7 p -76.76 160.1 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.66 -32.46 72.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.775 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.7 -42.8 99.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -43.94 62.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.109 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.3 mt -65.89 -32.0 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.407 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -55.67 -41.76 66.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.838 0.351 . . . . 0.0 111.103 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.406 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 39.6 mt-30 -66.95 -42.67 84.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -69.05 -32.31 71.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.235 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.9 p -74.51 -12.68 60.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.523 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.26 -19.13 62.9 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.716 0.294 . . . . 0.0 111.091 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.77 45.74 3.58 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.966 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.0 p -144.04 138.58 28.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 111.013 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.4 t -86.87 139.98 30.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.03 -30.0 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.95 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.68 -53.07 5.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -114.27 -172.6 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.034 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 pttm . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.983 0.421 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.417 ' CE2' ' HB3' ' A' ' 106' ' ' ASN . 9.4 m95 -115.4 143.32 45.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.155 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.66 145.34 49.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.809 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.0 t -57.4 131.86 51.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 tp -78.43 -23.98 46.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.595 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -53.54 120.03 5.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 110.954 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -57.08 -35.93 69.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.201 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -78.91 -21.23 47.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.7 122.82 46.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.207 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.42 73.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.461 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -121.3 142.79 49.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.414 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.6 t -106.35 120.55 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.632 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -130.85 167.55 22.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.853 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.4 p -107.91 147.48 30.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.907 0.384 . . . . 0.0 110.718 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.83 -169.16 35.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.948 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -56.05 -20.95 19.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.642 0.258 . . . . 0.0 111.526 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -62.17 -18.24 60.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.82 -70.62 0.74 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.022 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.9 t -146.54 16.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.82 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.28 33.12 2.43 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.997 0.427 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -54.37 -34.22 60.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.686 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -39.67 87.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -48.77 57.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.521 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.31 -49.38 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.281 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.407 ' HA ' ' HG2' ' A' ' 98' ' ' GLU . 8.0 t60 -58.97 -37.07 75.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.113 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 t -61.45 -41.84 97.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.226 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.416 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.83 -49.76 42.79 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.861 -179.253 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 95' ' ' HIS . 26.5 pt-20 -55.24 -48.11 74.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.451 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 49.4 p -97.17 9.43 42.18 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp 55.51 22.3 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.681 0.277 . . . . 0.0 111.227 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 99' ' ' THR . 61.3 m170 -87.46 96.17 10.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.037 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -88.99 27.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.763 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.402 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 2.9 mm? -128.0 116.56 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.424 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.9 t -136.29 131.69 34.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.592 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.0 p -120.16 119.3 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.406 . . . . 0.0 111.382 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.417 ' HB3' ' CE2' ' A' ' 72' ' ' TRP . 3.6 p30 -73.83 120.47 19.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.419 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.32 -13.56 61.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.584 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -30.43 31.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.683 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.33 -8.96 11.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.583 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.5 mt 61.77 30.47 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 111.024 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -114.17 140.77 48.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 28.7 t -97.38 150.16 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.229 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.409 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 71.3 t-105 -131.0 141.68 50.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.6 t -117.74 112.52 20.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.608 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -69.23 -42.1 76.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.641 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -59.87 -52.54 65.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.933 0.397 . . . . 0.0 110.977 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.8 m -68.97 -30.17 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 m 76.45 52.18 0.05 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.686 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.409 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.42 177.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.057 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -88.53 146.44 25.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.7 m -134.69 172.07 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 120.718 0.294 . . . . 0.0 110.62 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.01 -44.47 3.87 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.735 2.29 . . . . 0.0 113.19 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.425 ' CE1' ' CB ' ' A' ' 116' ' ' ALA . 23.4 m80 -47.5 -55.51 8.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 111.292 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 3.8 pp -75.16 -31.51 61.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.912 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -60.51 -22.05 63.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.59 -43.27 12.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.242 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 42' ' ' LEU . 27.0 m -73.01 125.25 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.76 -151.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.515 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -121.12 147.07 46.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 0.0 111.057 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.9 tt -83.59 144.61 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.8 p -81.36 159.82 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.95 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -32.53 74.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.824 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.7 -41.82 98.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.48 -46.64 53.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.413 HD21 ' CD2' ' A' ' 107' ' ' LEU . 56.4 mt -62.95 -31.93 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.359 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 2.4 tp -55.77 -42.59 70.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 111.092 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 32.3 tt0 -68.63 -47.24 67.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.604 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' CD ' ' CB ' ' A' ' 73' ' ' ALA . 45.2 mttt -63.96 -32.24 73.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.91 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 p -70.03 -12.82 61.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.502 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 19.7 mt -62.4 -19.06 63.04 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.6 45.98 4.44 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.257 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.404 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 69.3 p -144.19 138.64 28.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 37.1 t -86.86 137.96 31.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.817 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -77.19 -34.25 56.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.66 -53.07 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.33 -174.91 3.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.728 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' A' ' 60' ' ' THR . 3.6 mt . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.793 0.33 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 31.3 m95 -111.06 149.01 31.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.412 ' CB ' ' CD ' ' A' ' 56' ' ' LYS . . . -135.98 142.05 44.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.0 t -56.83 135.31 55.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.796 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.9 tp -85.43 -15.85 41.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.693 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.2 129.21 39.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.768 0.318 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -62.61 -36.56 83.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.206 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -83.87 -20.6 32.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.341 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 t -103.26 127.56 50.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 111.195 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -127.8 69.44 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.44 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -112.97 146.78 38.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.263 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.8 t -109.34 120.99 61.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.822 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.09 163.81 25.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.818 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.2 p -103.28 135.47 44.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 110.684 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.33 -165.02 0.61 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.777 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -65.2 -14.72 61.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.626 0.25 . . . . 0.0 111.396 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.9 m -62.32 -18.58 61.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.165 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.47 -78.86 0.6 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.688 0.28 . . . . 0.0 111.251 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.9 t -131.08 17.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.706 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 50.88 30.76 5.44 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -53.4 -40.19 64.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 m -59.04 -36.52 75.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.5 m -69.56 -51.57 34.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.673 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -56.03 -51.44 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.512 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -57.58 -39.5 76.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.198 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 t -58.02 -43.43 86.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.798 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.433 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -70.81 -48.76 52.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.869 0.366 . . . . 0.0 110.913 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.6 -48.67 48.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.051 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.436 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.5 p -105.83 12.05 31.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 mttt 57.28 22.01 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 111.305 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 99' ' ' THR . 58.6 m170 -86.85 96.34 10.18 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.411 ' HB3' ' HB2' ' A' ' 115' ' ' TYR . 19.3 m-85 -90.19 25.76 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.635 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.418 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 3.0 mm? -128.53 117.52 21.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 0.0 111.059 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.6 t -137.04 136.08 38.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.778 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.6 p -120.26 122.34 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.342 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.3 p30 -77.72 124.34 27.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.249 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.413 ' CD2' HD21 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.51 -21.24 61.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.954 -179.293 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m -78.43 -26.97 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.94 -9.41 10.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.605 0.241 . . . . 0.0 111.644 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.0 mt 59.11 30.76 20.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.302 . . . . 0.0 111.074 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -114.19 143.96 43.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.983 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.43 150.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.297 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -129.93 142.16 50.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 t -116.9 112.23 20.75 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.779 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.411 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 45.1 m-85 -69.36 -42.04 75.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.537 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.425 ' CB ' ' CE1' ' A' ' 41' ' ' HIS . . . -59.49 -52.47 65.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.071 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.5 m -69.05 -30.02 68.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.345 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.2 m 76.83 54.4 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.714 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.81 -179.89 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -92.88 137.78 32.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.42 162.56 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 120.81 0.338 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.26 -44.91 3.12 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.816 2.344 . . . . 0.0 113.101 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 15.6 m80 -46.96 -55.24 8.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.41 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.457 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 3.9 pp -75.31 -34.1 61.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.031 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.23 -21.99 37.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.253 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m -85.61 -43.17 13.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.587 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.443 HG21 ' HA ' ' A' ' 42' ' ' LEU . 35.5 m -70.11 162.39 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 111.305 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.17 -130.69 6.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -140.53 165.53 27.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.9 tt -107.24 141.22 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.015 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.8 p -77.16 159.98 29.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 54' ' ' ILE . 3.7 tttp -60.0 -45.64 92.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.778 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -37.94 76.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.68 -41.02 88.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.464 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.84 -31.77 66.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 50' ' ' LYS . 10.6 mm -54.71 -46.88 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.868 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -40.43 89.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.481 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HG2' ' CG2' ' A' ' 82' ' ' VAL . 17.3 mttp -68.95 -32.3 71.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.984 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.3 p -71.68 -12.34 61.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.436 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.85 -19.05 62.18 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.715 0.293 . . . . 0.0 110.964 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.81 46.02 3.78 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.551 -0.833 . . . . 0.0 113.457 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 p -144.18 137.78 27.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.0 t -87.45 143.66 27.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.668 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -42.24 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.88 -53.09 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.22 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.3 p -127.2 -176.93 3.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.99 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mttt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.631 179.835 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.822 0.344 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -126.15 145.84 50.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.97 141.02 51.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.09 133.03 55.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.659 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.07 -10.14 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.963 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.7 OUTLIER -53.89 142.79 23.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.826 0.346 . . . . 0.0 110.935 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -69.26 -43.38 74.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -80.86 -22.52 39.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.182 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.0 OUTLIER -101.15 150.03 23.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.928 0.394 . . . . 0.0 111.224 -179.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.8 m -150.54 43.93 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.394 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -87.29 148.56 25.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.292 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.403 ' CG2' ' HG2' ' A' ' 56' ' ' LYS . 2.7 t -108.93 122.3 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.68 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.88 164.05 24.45 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.796 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.6 p -103.38 139.18 39.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.699 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.69 -175.74 4.68 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.857 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.95 -20.31 56.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.711 0.291 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.9 m -62.28 -20.18 64.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.057 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -118.36 -67.96 0.95 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.1 t -145.32 16.29 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.589 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.5 t0 48.13 28.3 1.48 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.959 0.409 . . . . 0.0 111.193 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.83 -38.01 64.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.759 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.9 t -58.72 -37.7 76.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.0 m -71.04 -49.31 46.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.637 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -57.36 -51.46 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.924 0.392 . . . . 0.0 110.331 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -58.88 -37.91 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.076 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t -57.91 -43.25 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.765 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.43 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.58 -48.78 53.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.912 0.387 . . . . 0.0 110.936 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.69 -48.66 39.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.043 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.437 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.5 p -107.18 11.83 29.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 mttm 58.12 22.11 8.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.616 0.246 . . . . 0.0 111.355 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 99' ' ' THR . 53.3 m170 -86.73 96.41 10.15 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -92.02 26.2 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.823 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.457 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 4.6 mm? -129.89 119.5 23.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.944 0.402 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -138.97 141.42 38.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.8 p -120.22 119.11 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.92 0.39 . . . . 0.0 111.203 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -73.17 121.29 20.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.729 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.18 -9.95 59.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.678 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -33.53 29.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.632 0.253 . . . . 0.0 111.485 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.03 -4.89 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.69 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 mt 59.9 34.46 21.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.769 0.318 . . . . 0.0 110.954 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -114.11 151.69 32.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.9 t -102.75 150.14 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -132.79 139.74 47.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.417 . . . . 0.0 111.305 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 15.6 t -112.85 111.64 22.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.442 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -69.25 -41.99 76.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.656 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.431 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -59.63 -52.63 64.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 110.951 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.7 m -69.13 -30.06 68.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.46 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 p 76.88 46.51 0.08 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.584 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.94 -178.47 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.93 138.7 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.27 165.2 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 37.9 p90 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.97 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.422 ' O ' ' OD2' ' A' ' 43' ' ' ASP . 58.1 Cg_endo -71.05 -26.06 22.0 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.026 2.484 . . . . 0.0 113.796 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.453 ' CE1' ' CB ' ' A' ' 116' ' ' ALA . 16.0 m80 -67.81 -53.56 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.669 0.271 . . . . 0.0 111.543 -179.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 3.7 pp -78.52 -37.55 42.74 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 40' ' ' PRO . 8.5 p-10 -59.36 -21.58 60.05 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.426 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.6 m -83.61 -43.19 15.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.722 0.296 . . . . 0.0 111.411 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.455 HG23 ' HA ' ' A' ' 42' ' ' LEU . 35.5 m -68.82 139.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.239 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.59 -136.59 0.9 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -140.53 160.38 40.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.413 ' CG2' ' CB ' ' A' ' 52' ' ' ASP . 27.7 mt -106.77 149.14 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.7 p -76.87 160.12 29.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -40.4 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.86 -38.32 78.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.413 ' CB ' ' CG2' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -72.39 -43.31 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.9 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.05 -31.89 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.1 mt -56.16 -46.66 81.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -41.49 97.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.93 0.395 . . . . 0.0 110.418 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -69.06 -32.19 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.847 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.8 p -71.44 -12.51 61.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.362 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.5 mt -61.88 -19.04 62.22 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.651 0.263 . . . . 0.0 110.928 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.91 51.57 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.594 -0.813 . . . . 0.0 113.424 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.417 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -144.19 138.43 28.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.063 179.384 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.2 t -87.03 135.13 33.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -4.71 45.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.539 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -109.0 -53.13 2.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.705 0.288 . . . . 0.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.14 -171.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.962 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.267 -179.666 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' A' ' 60' ' ' THR . 5.1 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.916 0.388 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.458 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 16.0 m95 -115.15 148.1 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.37 141.74 48.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.8 t -56.01 132.2 49.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 103' ' ' LEU . 8.0 tp -83.15 -19.86 35.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.844 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -53.29 128.31 27.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -60.78 -40.76 93.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.253 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 mmm-85 -77.91 -17.06 57.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.518 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.4 t -108.41 125.7 52.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.914 0.388 . . . . 0.0 111.289 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.4 p -126.11 70.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -118.39 148.6 42.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.371 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.6 t -108.21 129.71 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.621 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -139.41 162.6 26.11 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.868 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 21.2 p -103.45 144.69 31.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.588 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.64 -158.13 17.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.86 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.28 -18.57 50.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.654 0.264 . . . . 0.0 111.346 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -18.2 60.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.232 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -126.28 -78.82 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.651 0.262 . . . . 0.0 111.181 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.0 t -143.16 17.26 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.74 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.81 37.43 24.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.601 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 m -61.98 -36.36 81.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.394 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.4 m -70.93 -47.52 58.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.415 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.5 mt -58.1 -49.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.183 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -59.96 -38.12 81.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.932 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -58.08 -43.29 86.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.604 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.434 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -68.01 -48.58 65.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.795 0.331 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -50.57 -48.71 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.902 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.465 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 58.5 p -107.42 17.18 23.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.617 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 51.3 22.39 1.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 99' ' ' THR . 63.9 m170 -82.63 96.2 8.03 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.403 ' HB3' ' HB2' ' A' ' 115' ' ' TYR . 35.7 m-85 -87.95 12.79 12.36 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 4.6 mm? -114.1 118.88 35.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.024 0.44 . . . . 0.0 111.22 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.3 t -139.11 132.47 30.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.845 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.9 p -120.41 123.24 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.242 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.1 p30 -76.45 122.66 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.394 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.55 -17.05 61.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.817 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.4 m -82.22 -31.52 30.24 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.649 0.241 . . . . 0.0 111.649 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -12.87 13.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.666 0.27 . . . . 0.0 111.554 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.2 mt 62.75 30.55 16.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.282 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -114.28 139.08 49.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.931 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.2 t -94.42 150.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.41 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 73.7 t-105 -131.98 141.84 49.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.434 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.5 t -115.17 110.12 19.02 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 20.5 m-85 -69.16 -42.11 76.35 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.641 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.453 ' CB ' ' CE1' ' A' ' 41' ' ' HIS . . . -60.48 -52.66 64.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.948 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.8 m -69.96 -30.21 67.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.406 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.85 52.75 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.639 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.41 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -174.13 173.29 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.022 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -88.91 136.37 33.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.1 m -127.61 177.56 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 15.1 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 120.753 0.311 . . . . 0.0 110.634 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.84 -43.81 2.38 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.774 2.316 . . . . 0.0 113.102 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.43 ' CE1' ' CB ' ' A' ' 116' ' ' ALA . 16.8 m80 -47.12 -55.23 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.357 -179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 pp -75.37 -37.06 60.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.957 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -54.77 -22.07 13.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.374 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.2 m -83.09 -43.07 16.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.268 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 m -60.05 167.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.299 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -104.46 -122.71 5.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -140.57 155.45 46.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 tt -109.86 138.99 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.9 p -83.98 159.84 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.044 0.449 . . . . 0.0 111.307 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -63.61 -33.1 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.816 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -58.89 -43.2 90.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.778 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.43 -46.48 54.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.784 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.15 -31.88 72.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.325 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.407 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 2.7 tt -55.2 -42.26 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 111.109 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -68.62 -42.91 77.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.645 179.766 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -68.05 -32.2 72.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.916 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.5 p -71.86 -12.78 61.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.469 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.19 -19.1 62.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.654 0.264 . . . . 0.0 110.969 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.17 45.2 4.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.709 -0.758 . . . . 0.0 113.07 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -144.4 138.71 27.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.902 0.382 . . . . 0.0 111.006 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.6 t -86.89 143.05 27.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -37.62 53.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.3 -53.08 13.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.4 p -120.61 178.56 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.943 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.99 0.424 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.421 ' CE3' HG22 ' A' ' 104' ' ' THR . 18.0 m95 -107.05 162.26 14.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.08 142.28 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 t -57.1 131.71 50.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.722 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.6 tp -83.55 -14.57 51.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.873 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.433 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 6.9 tp10 -54.77 138.61 41.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.818 0.342 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -66.75 -42.67 85.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -24.17 41.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.159 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.433 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -101.05 122.8 44.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.36 . . . . 0.0 111.158 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.6 m -125.04 51.68 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.395 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -96.0 148.62 22.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.327 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 t -105.61 128.65 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.822 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.77 159.41 26.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.719 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.9 p -103.39 143.08 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.78 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.52 -167.7 14.05 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.921 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.87 -19.78 45.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.668 0.27 . . . . 0.0 111.41 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.26 -18.22 60.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.168 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -123.21 -73.18 0.65 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.052 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.7 t -143.18 15.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.728 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t0 50.76 32.45 7.09 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.911 0.386 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -54.78 -37.36 65.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.788 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.4 m -58.97 -36.59 75.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.595 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.9 m -72.12 -48.84 40.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.518 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.29 -50.85 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.994 0.425 . . . . 0.0 110.276 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -60.4 -36.26 77.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.963 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -59.21 -42.46 91.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.421 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.64 -48.7 53.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -49.48 -48.65 47.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.978 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.438 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.2 p -106.98 12.76 28.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.59 22.19 6.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.661 0.267 . . . . 0.0 111.375 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.8 m170 -86.74 96.33 10.13 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -92.15 26.07 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.453 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 103' ' ' LEU . 2.8 mm? -125.39 117.01 22.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.939 0.4 . . . . 0.0 110.784 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.421 HG22 ' CE3' ' A' ' 72' ' ' TRP . 4.6 t -137.62 134.59 35.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.8 p -120.15 126.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.948 0.404 . . . . 0.0 111.259 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.418 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 9.2 p30 -78.99 123.17 27.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.361 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.53 -17.44 61.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.824 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 -27.51 32.58 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.36 -10.47 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.7 mt 60.97 29.87 19.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -114.28 136.68 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.4 t -93.3 150.18 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.425 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 56.5 t-105 -132.1 145.41 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.014 0.435 . . . . 0.0 111.369 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 24.9 t -116.71 113.05 22.08 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.544 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -69.27 -42.21 75.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.757 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.43 ' CB ' ' CE1' ' A' ' 41' ' ' HIS . . . -60.15 -52.59 64.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.991 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.1 m -69.76 -30.24 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.537 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.5 m 75.85 53.12 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.629 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.425 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.31 173.75 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.072 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -86.24 139.32 31.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.7 m -136.18 -179.34 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.6 p90 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 120.736 0.303 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.65 -45.07 2.56 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.737 2.291 . . . . 0.0 113.059 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 19.4 m80 -46.48 -55.26 7.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.448 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.426 ' HA ' HG23 ' A' ' 45' ' ' VAL . 4.0 pp -74.35 -37.32 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.829 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -57.66 -21.84 42.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.406 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.3 -43.05 15.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.431 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.426 HG23 ' HA ' ' A' ' 42' ' ' LEU . 30.9 m -69.22 -178.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.327 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.32 -159.2 10.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.457 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -115.25 148.02 39.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.782 0.325 . . . . 0.0 110.955 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.0 mt -95.06 148.64 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -77.22 160.02 29.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.65 -31.57 71.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -60.64 -44.82 95.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.43 -45.3 60.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.098 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.33 -31.72 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.365 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 0.9 OUTLIER -53.53 -42.44 49.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -68.62 -41.82 78.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.64 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -69.02 -32.24 71.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.089 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.5 p -73.75 -12.57 60.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.429 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.9 mt -62.28 -19.06 62.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.623 0.249 . . . . 0.0 110.989 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.24 45.34 4.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.987 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 78.8 p -144.05 138.5 28.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.953 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.4 t -86.88 137.72 32.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.769 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -76.37 -28.5 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.11 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.95 -52.97 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.7 p -124.4 -166.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.762 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 pttm . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 120.96 0.41 . . . . 0.0 110.741 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 60' ' ' THR . 5.2 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.897 0.379 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.43 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 25.2 m95 -110.94 150.93 28.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -135.13 140.33 45.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.2 t -55.63 135.61 51.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.8 tp -86.22 -20.27 28.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.544 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.45 126.73 22.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.859 0.362 . . . . 0.0 110.994 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -62.11 -35.15 77.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -79.56 -26.17 41.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.1 150.05 21.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.117 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 p -144.23 53.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.353 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -97.58 146.65 25.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.424 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.56 114.95 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.614 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -132.33 164.71 23.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.943 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.5 p -103.45 139.19 39.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.982 0.42 . . . . 0.0 110.648 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.61 -169.35 0.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.941 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -65.01 -19.08 65.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.633 0.254 . . . . 0.0 111.298 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -18.6 62.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.166 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.17 -70.97 0.76 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.709 0.29 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.8 t -143.03 18.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.636 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.45 28.61 4.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.772 0.32 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -41.6 66.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 m -59.21 -35.4 73.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 58.8 m -70.51 -52.55 21.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.01 -51.23 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -57.19 -39.99 76.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.035 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.7 t -58.01 -42.75 85.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.673 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.424 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.56 -49.03 52.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.381 . . . . 0.0 110.946 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.46 -48.59 47.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.001 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.456 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.8 p -107.8 13.67 26.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.711 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 55.51 22.32 5.03 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.639 0.257 . . . . 0.0 111.516 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.7 m170 -85.74 96.17 9.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -88.72 16.31 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.742 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 2.7 mm? -117.91 117.35 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 111.027 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.5 t -135.95 134.37 38.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.787 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.9 p -120.21 123.02 69.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.942 0.401 . . . . 0.0 111.218 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.43 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.7 p30 -79.21 121.87 25.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.49 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.33 -11.52 60.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.559 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -32.22 30.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.464 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.33 -9.37 11.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.601 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.0 mt 62.0 32.9 17.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.941 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -114.14 154.4 27.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.952 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.34 150.11 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -130.38 140.88 50.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.5 t -117.48 110.59 18.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.831 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -69.36 -41.15 76.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.46 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.427 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -59.71 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 m -69.53 -29.99 67.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.301 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.66 53.9 0.06 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.29 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.96 176.26 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.034 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -87.87 136.12 33.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.792 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.7 m -122.47 166.54 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.26 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 30.1 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 120.756 0.313 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.12 -44.6 3.59 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.707 2.271 . . . . 0.0 113.099 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.441 ' CE1' ' CB ' ' A' ' 116' ' ' ALA . 19.2 m80 -47.49 -55.17 9.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.343 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.437 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 4.1 pp -73.57 -34.2 65.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.741 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.95 -21.82 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.256 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.21 -43.22 13.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.716 0.293 . . . . 0.0 111.41 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 42' ' ' LEU . 34.1 m -71.7 159.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.141 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.21 -135.15 8.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.404 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -140.42 153.96 46.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.425 ' CG2' ' CB ' ' A' ' 52' ' ' ASP . 25.8 mt -92.13 149.16 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.2 p -76.81 159.98 29.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -59.16 -44.1 92.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -33.93 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.245 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' CB ' ' CG2' ' A' ' 48' ' ' ILE . 1.0 OUTLIER -72.36 -49.71 32.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.739 0.305 . . . . 0.0 110.85 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.7 mt -62.35 -31.91 72.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.3 mm -56.16 -44.89 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 16.2 mt-30 -68.6 -39.81 80.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.567 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -67.63 -32.11 72.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.795 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.0 p -69.57 -12.81 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.648 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 3.1 mt -62.05 -19.16 62.61 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.905 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.94 49.25 3.86 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.747 -0.739 . . . . 0.0 113.277 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -144.43 138.57 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 0.0 110.977 179.508 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.2 t -86.9 138.53 31.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.788 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -28.05 54.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' HB3' ' CE1' ' A' ' 91' ' ' HIS . 17.1 t0 -81.22 -53.06 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.225 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.9 p -119.03 -174.66 2.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.42 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.409 ' CD1' ' N ' ' A' ' 60' ' ' THR . 4.9 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.948 0.404 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 15.7 m95 -111.2 161.32 16.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.136 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.07 139.2 30.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.0 t -55.24 135.15 49.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.762 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 tp -89.85 -10.38 45.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.894 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.41 142.78 31.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -67.3 -45.36 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.212 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -20.78 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.1 t -103.11 128.94 49.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.979 0.419 . . . . 0.0 111.254 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -129.05 41.72 3.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.352 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.98 148.55 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.335 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 t -109.15 120.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.777 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -129.33 159.76 22.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.778 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.4 p -103.18 138.6 39.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.333 . . . . 0.0 110.774 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.79 -177.05 4.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.917 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.44 -19.04 54.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -19.16 62.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.979 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -120.37 -70.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.4 t -141.44 14.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.691 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t0 47.51 29.5 1.41 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.918 0.389 . . . . 0.0 111.175 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 63' ' ' ASP . 0.9 OUTLIER -55.47 -35.3 65.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.62 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -59.77 -37.73 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.39 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.5 m -71.12 -50.31 34.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.604 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.54 -50.72 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.361 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -58.72 -38.39 78.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.111 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 t -58.42 -43.51 88.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.728 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.428 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.52 -48.69 54.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.836 0.351 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -49.16 -48.65 44.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.139 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 41.6 p -107.87 14.71 25.14 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 55.42 22.16 4.79 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.8 m170 -85.91 96.23 9.73 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -91.9 31.21 1.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.58 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.437 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 3.4 mm? -133.14 117.78 17.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.0 t -138.27 136.68 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.8 p -120.22 126.12 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.319 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 2.1 p30 -80.07 123.02 27.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.437 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -17.96 61.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.834 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -27.06 33.25 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.07 -5.37 10.51 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.7 mt 56.73 32.32 20.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.807 0.337 . . . . 0.0 111.077 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -114.16 147.42 38.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.5 t -105.05 150.07 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.403 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 60.2 t-105 -131.64 142.62 49.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.967 0.413 . . . . 0.0 111.445 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 16.8 t -114.88 112.67 23.1 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.452 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -69.46 -42.06 75.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.667 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.441 ' CB ' ' CE1' ' A' ' 41' ' ' HIS . . . -59.97 -52.72 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.411 . . . . 0.0 110.901 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.8 m -68.97 -30.09 68.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.236 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 m 75.01 54.41 0.07 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.732 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.403 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.36 -179.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.214 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.75 147.65 25.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.79 165.78 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.0 p90 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.344 0 CA-C-O 120.719 0.295 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.51 -44.42 4.57 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.823 2.349 . . . . 0.0 113.103 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 21.2 m80 -46.43 -55.19 7.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.461 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HA ' HG23 ' A' ' 45' ' ' VAL . 3.9 pp -74.15 -36.45 64.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.05 -21.96 47.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.358 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -83.75 -43.18 15.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.385 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.443 HG23 ' HA ' ' A' ' 42' ' ' LEU . 27.4 m -71.69 172.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.302 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.39 -139.38 7.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.5 164.7 29.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.349 . . . . 0.0 110.948 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.3 mt -112.93 150.77 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.051 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.4 p -76.82 160.05 29.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -63.11 -29.15 70.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -66.09 -41.78 90.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -45.52 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.012 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.7 mt -63.44 -31.86 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.252 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.409 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 2.3 tt -54.23 -42.17 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.129 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.409 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -68.53 -44.66 74.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.58 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 50.9 mttt -66.47 -32.29 73.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.157 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.9 p -72.83 -12.61 61.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.438 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.6 mt -62.12 -19.13 62.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.65 0.262 . . . . 0.0 111.037 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.83 50.49 2.29 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.09 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.406 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 34.0 p -144.17 138.33 28.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -87.02 140.75 29.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -24.92 52.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.32 -52.96 4.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -116.01 -168.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.985 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.981 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.406 ' CD1' ' N ' ' A' ' 60' ' ' THR . 13.8 mt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.767 0.317 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 13.1 m95 -109.37 151.42 26.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -129.29 138.51 51.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.982 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -58.58 125.2 22.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.747 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 tp -80.02 -16.36 55.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.648 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.39 117.13 2.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.759 0.314 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -55.94 -37.06 68.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -76.67 -21.98 54.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 t -101.94 150.12 23.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 111.099 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.06 68.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.42 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -127.96 148.58 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.29 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.0 t -111.84 129.28 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.844 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.38 165.75 24.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.76 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.0 p -103.39 142.01 34.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.828 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.63 -171.96 11.09 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.865 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -20.17 46.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.671 0.272 . . . . 0.0 111.36 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -62.12 -18.81 61.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -68.1 0.92 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.8 t -147.68 17.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.764 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t0 47.26 31.03 1.61 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.842 0.354 . . . . 0.0 111.18 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -54.39 -37.71 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.744 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.547 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.8 m -71.05 -49.92 39.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.584 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -57.8 -50.33 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.386 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -58.87 -38.85 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.059 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 t -58.05 -43.67 87.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.41 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.6 -48.76 53.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.846 0.355 . . . . 0.0 111.031 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -49.71 -48.71 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.106 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.447 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 45.6 p -105.07 11.36 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt 57.94 22.08 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.643 0.258 . . . . 0.0 111.325 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 99' ' ' THR . 55.2 m170 -87.25 96.21 10.25 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -87.24 10.71 16.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.924 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.405 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 2.9 mm? -109.79 117.09 32.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.397 . . . . 0.0 110.932 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.6 t -137.55 129.99 29.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.663 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.9 p -120.36 120.52 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 111.572 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 5.5 p30 -71.64 120.07 16.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.306 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.32 -14.93 61.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.718 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -82.0 -28.78 32.4 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.93 -8.21 10.29 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 mt 61.44 32.7 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.345 . . . . 0.0 110.708 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -113.96 135.66 53.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.4 t -94.46 150.15 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.274 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 66.9 t-105 -132.36 143.21 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.0 t -117.72 111.42 19.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.724 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -69.22 -42.12 76.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.596 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -59.16 -52.53 65.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.956 0.408 . . . . 0.0 110.826 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.19 -30.21 68.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.337 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.02 51.14 0.06 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.622 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.418 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -173.59 174.27 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.037 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -86.16 145.94 26.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.59 174.43 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.247 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 28.0 p90 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.867 0.365 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -99.75 61.39 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -154.0 157.33 38.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.52 135.77 64.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.704 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -67.97 -46.14 2.58 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.896 2.397 . . . . 0.0 113.093 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 17.0 m80 -45.47 -54.82 6.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.513 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.423 ' HB3' ' CD1' ' A' ' 103' ' ' LEU . 4.0 pp -74.06 -38.38 63.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -57.29 -21.79 37.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.431 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.8 p -81.45 -43.05 19.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.797 0.332 . . . . 0.0 111.214 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.42 HG23 ' HA ' ' A' ' 42' ' ' LEU . 27.5 m -72.03 158.49 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.18 -133.42 8.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -140.58 152.97 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mt -103.36 148.81 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.8 p -76.93 160.06 29.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -61.04 -32.42 72.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.77 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -59.58 -45.45 91.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.43 -40.34 67.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.079 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.1 mt -68.44 -31.9 71.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.254 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 2.6 tp -54.68 -42.5 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.841 0.353 . . . . 0.0 111.221 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 1.3 mm-40 -68.44 -43.97 75.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.29 -32.34 73.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.076 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.5 p -73.29 -12.59 60.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.434 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.2 mt -62.24 -19.08 62.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.636 0.255 . . . . 0.0 111.105 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.02 48.9 3.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.024 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.408 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 61.0 p -144.05 138.51 28.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.342 . . . . 0.0 110.954 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.7 t -86.83 136.3 33.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.777 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -17.88 60.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.91 -50.86 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 111.14 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.7 p -122.26 -168.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -126.74 78.9 1.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.807 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 m -100.03 -26.89 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.29 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 65.12 131.83 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.63 -171.04 0.93 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.569 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.24 -167.44 4.8 Favored 'Cis proline' 0 C--N 1.345 0.374 0 C-N-CA 123.181 -1.591 . . . . 0.0 112.361 -0.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 65.84 76.54 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.771 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.408 ' CD1' ' N ' ' A' ' 60' ' ' THR . 5.2 mt -134.1 148.27 50.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.441 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 24.7 m95 -116.18 157.24 25.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.243 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.37 138.97 31.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.056 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.4 t -57.27 128.53 37.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.828 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 103' ' ' LEU . 5.8 tp -82.7 -17.95 42.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.511 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 112.36 0.9 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -51.7 -32.81 31.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.213 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -80.09 -22.4 42.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.3 t -103.62 149.97 24.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 111.227 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 m -142.02 64.61 1.39 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.594 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.52 148.55 37.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.225 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.22 118.9 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.802 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.26 161.18 24.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.795 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 p -103.41 146.79 27.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.303 . . . . 0.0 110.649 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -172.12 25.67 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.128 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -21.12 21.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.709 0.29 . . . . 0.0 111.432 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.4 m -62.2 -17.53 58.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.177 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.74 -72.32 0.66 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.5 t -141.58 12.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 t0 48.73 30.79 2.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -55.38 -35.67 65.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t -60.53 -36.99 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.2 m -70.71 -49.42 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.425 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.9 mt -58.17 -50.94 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.301 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -58.95 -37.3 76.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.133 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 t -59.21 -44.17 92.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.775 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.419 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.56 -48.83 53.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.88 0.371 . . . . 0.0 110.92 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.16 -48.64 53.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.112 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.44 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 42.2 p -104.85 11.85 33.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.8 mttp 57.17 22.02 7.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.635 0.255 . . . . 0.0 111.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.6 m170 -87.79 96.36 10.43 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -89.96 22.12 3.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.806 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 42' ' ' LEU . 3.2 mm? -121.21 117.23 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.933 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.436 HG23 ' CE2' ' A' ' 115' ' ' TYR . 6.6 t -138.15 133.11 32.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.5 p -120.15 125.44 74.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.281 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.3 p30 -78.44 123.51 27.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.16 -9.0 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.576 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.99 -40.95 52.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.769 0.319 . . . . 0.0 111.44 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.08 -4.77 10.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.626 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 mt 62.58 40.58 10.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -114.02 142.64 45.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.744 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.1 t -95.49 150.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -133.25 140.45 47.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.9 t -114.33 111.76 22.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.436 ' CE2' HG23 ' A' ' 104' ' ' THR . 31.7 m-85 -69.27 -42.07 76.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.427 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -59.94 -52.42 65.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.936 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.88 -30.04 68.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.371 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.9 p 76.92 46.84 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.779 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.58 178.58 4.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.47 136.58 32.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.31 170.87 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -123.12 142.37 50.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -105.98 116.8 32.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.12 153.54 40.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -90.33 -31.7 16.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -137.52 134.4 35.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.809 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 19.3 mt -102.62 -78.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 100.93 54.14 0.99 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 29.7 m -109.5 -31.72 7.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.769 0.318 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -167.61 170.75 10.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -80.62 171.38 15.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 134.84 37.18 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.6 -45.08 2.6 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.794 2.329 . . . . 0.0 113.161 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.437 ' CE1' ' CB ' ' A' ' 116' ' ' ALA . 15.6 m80 -46.55 -55.17 7.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.368 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 ' HB3' ' CD1' ' A' ' 103' ' ' LEU . 4.0 pp -75.03 -35.44 61.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.909 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -58.64 -21.99 55.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -84.53 -43.18 14.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 111.315 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.33 143.68 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 111.2 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -83.8 -129.52 1.67 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.436 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -139.97 164.56 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.41 ' CG2' ' CB ' ' A' ' 52' ' ' ASP . 32.7 mt -105.18 150.69 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.9 p -80.06 160.06 25.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.716 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -58.59 -42.33 87.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.955 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.83 -36.56 74.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' CB ' ' CG2' ' A' ' 48' ' ' ILE . 5.3 m-20 -72.34 -41.56 66.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.0 mt -71.67 -31.96 67.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.4 mt -58.35 -46.85 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -63.84 -40.79 97.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.999 0.428 . . . . 0.0 110.515 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -69.05 -32.22 71.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.96 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -72.16 -12.42 61.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.61 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.19 -19.09 62.75 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.987 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.47 47.88 3.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.626 -0.797 . . . . 0.0 113.303 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.6 p -144.21 138.22 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.9 t -87.33 142.57 27.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -41.75 40.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.47 -53.2 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.1 p -116.08 172.17 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -99.02 73.35 1.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.2 p -118.01 149.3 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -95.13 144.12 26.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.01 -137.17 0.21 Allowed Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.522 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.15 -42.93 0.65 Allowed 'Cis proline' 0 C--N 1.347 0.485 0 C-N-CA 123.36 -1.517 . . . . 0.0 112.284 0.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 1.7 m-20 -44.62 107.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.277 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mt -154.28 144.77 22.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.011 0.434 . . . . 0.0 111.154 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.479 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.2 m95 -112.28 147.25 36.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.74 144.43 51.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.01 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 27.6 t -56.38 134.21 53.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 tp -84.82 -18.25 35.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.727 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.39 128.18 27.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.9 0.381 . . . . 0.0 110.994 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -63.1 -37.06 85.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.42 -22.39 41.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.181 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.7 147.77 25.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.915 0.388 . . . . 0.0 111.058 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.47 64.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.422 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -110.8 148.53 32.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.341 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.4 t -109.08 129.66 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.832 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.99 161.51 27.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.781 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 p -103.52 142.88 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.662 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.09 -169.96 8.02 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.936 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.64 -19.78 51.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 111.368 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 t -62.2 -18.45 61.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.111 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -121.67 -70.29 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.986 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.5 t -148.02 18.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.665 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 t0 47.53 32.01 2.23 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.938 0.399 . . . . 0.0 111.234 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.3 -35.18 62.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.4 t -58.65 -39.71 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.363 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.9 m -70.33 -45.44 66.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.2 mt -57.92 -51.02 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.039 0.447 . . . . 0.0 110.251 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.54 -37.72 79.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 t -57.99 -42.63 85.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.633 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.415 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.61 -48.82 53.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.847 0.356 . . . . 0.0 110.959 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -49.12 -48.68 44.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.119 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 47.3 p -106.57 11.79 30.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt 57.71 22.12 8.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.602 0.239 . . . . 0.0 111.274 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 99' ' ' THR . 55.9 m170 -86.85 96.32 10.17 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -88.19 22.75 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.425 ' CD1' ' HB3' ' A' ' 42' ' ' LEU . 4.1 mm? -124.6 117.5 24.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -135.06 133.33 39.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.835 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.2 p -120.44 120.02 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.357 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 3.2 p30 -74.73 121.19 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.484 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -13.57 61.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.505 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -82.11 -32.02 30.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.603 -179.43 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.17 -9.45 12.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.524 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.1 mt 62.85 30.77 16.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.194 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -114.15 153.34 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.829 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.47 150.06 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 65.0 t-105 -130.62 141.0 50.43 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.974 0.416 . . . . 0.0 111.384 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 15.7 t -112.48 110.0 19.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.413 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -69.22 -40.64 77.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.573 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.437 ' CB ' ' CE1' ' A' ' 41' ' ' HIS . . . -60.07 -52.64 64.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.942 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.9 m -70.24 -30.13 67.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.46 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.61 49.01 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.656 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.421 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.57 164.06 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.936 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -72.73 144.79 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.6 m -136.14 159.32 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.192 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -123.61 127.67 48.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.54 161.38 13.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -143.3 174.34 10.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -31.3 69.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.78 115.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 mt 63.43 -79.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 88.19 65.78 1.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.557 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -174.11 -40.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.782 0.325 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.23 -77.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.427 ' CD2' HD22 ' A' ' 42' ' ' LEU . 13.8 p-80 -135.04 -51.85 0.78 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.07 132.78 23.82 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.555 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.58 -46.11 2.07 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.846 2.364 . . . . 0.0 113.226 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.423 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 12.1 m80 -45.65 -55.18 6.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.497 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.427 HD22 ' CD2' ' A' ' 38' ' ' HIS . 3.8 pp -77.25 -32.83 55.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.03 -21.8 33.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.182 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.42 -43.18 14.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.322 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.1 136.45 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 111.206 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.49 -120.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.438 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -140.55 153.35 46.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.2 tt -102.0 149.06 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -92.69 160.01 15.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -62.91 -29.32 70.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.06 -46.9 88.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.7 -37.39 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.78 -31.85 70.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.305 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 2.8 tp -54.85 -43.59 68.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 111.274 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.427 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 4.2 mt-30 -68.43 -43.19 77.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -69.13 -32.27 71.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.157 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 p -75.62 -12.46 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.717 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.91 -18.74 61.31 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.139 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.94 45.0 4.01 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.976 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 p -144.14 138.44 28.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.9 t -86.88 138.09 31.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.974 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -26.67 53.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.74 -53.07 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.065 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.0 p -113.98 -176.29 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -110.38 107.23 16.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.46 -179.39 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -134.27 127.02 30.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.49 -175.52 3.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.354 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.36 -157.03 1.28 Allowed 'Cis proline' 0 C--N 1.347 0.473 0 C-N-CA 123.652 -1.395 . . . . 0.0 112.187 0.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.88 73.85 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.8 mt -142.14 158.79 43.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.783 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.42 ' CE3' HG22 ' A' ' 104' ' ' THR . 31.7 m95 -121.78 155.14 35.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -136.21 140.04 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 33.7 t -58.49 134.85 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 103' ' ' LEU . 4.3 tp -87.85 -19.81 26.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.636 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.27 117.18 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.955 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -53.08 -39.55 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.347 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -10.9 59.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.449 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.3 t -114.11 150.1 34.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.976 0.417 . . . . 0.0 111.141 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -146.99 60.17 1.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.349 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -107.06 145.69 32.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.453 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.9 t -102.86 124.66 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.65 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.58 159.18 24.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.77 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.9 p -103.39 142.05 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 110.718 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.4 -164.56 9.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.952 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -19.84 54.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.723 0.296 . . . . 0.0 111.347 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -16.67 56.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.249 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -125.09 -73.25 0.64 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.61 0.243 . . . . 0.0 111.474 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.6 t -145.34 17.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.09 31.89 12.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.793 0.33 . . . . 0.0 110.999 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.64 -37.59 65.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.769 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -36.89 75.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.432 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -70.7 -48.3 55.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.444 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.9 mt -59.14 -51.54 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.372 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -58.36 -37.07 74.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.078 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -59.35 -45.71 90.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.763 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -48.78 53.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.872 0.368 . . . . 0.0 111.108 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -48.62 56.68 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.455 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.4 p -101.28 9.11 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt 60.44 22.0 11.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.683 0.278 . . . . 0.0 111.094 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 99' ' ' THR . 49.8 m170 -90.08 96.38 10.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -86.57 10.65 14.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 3.6 mm? -114.49 117.76 31.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.033 0.444 . . . . 0.0 111.239 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.42 HG22 ' CE3' ' A' ' 72' ' ' TRP . 10.0 t -132.51 135.72 46.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.473 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.5 p -120.39 118.66 57.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.889 0.376 . . . . 0.0 111.491 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -69.0 120.12 14.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.418 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -7.49 49.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.8 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.89 -41.12 26.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.795 0.331 . . . . 0.0 111.362 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.04 -0.21 11.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.663 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.9 mt 58.93 42.53 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.11 137.92 51.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.1 t -92.5 150.1 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -137.67 143.75 41.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 111.292 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.5 t -111.69 110.52 20.95 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.586 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -69.23 -42.18 76.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.591 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.423 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -62.47 -52.68 62.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 111.185 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.5 m -69.95 -30.19 67.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.3 m 76.09 54.46 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.619 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.95 166.27 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.991 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.57 134.27 35.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.7 m -124.2 -179.57 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -123.44 146.02 48.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 mt -64.05 133.15 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.79 118.27 22.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -30.85 69.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.0 mttt 61.56 -178.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.28 152.48 19.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.16 -29.67 0.36 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.511 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 81.2 p -65.36 -49.04 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.972 0.415 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.811 0.339 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -94.34 -68.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -59.96 -176.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 132.96 33.46 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.514 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.05 -44.27 4.01 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.774 2.316 . . . . 0.0 113.108 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 18.0 m80 -46.85 -55.22 8.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.457 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.428 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 4.1 pp -76.78 -31.67 57.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.923 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.18 -22.13 64.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.946 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -86.07 -43.17 13.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.193 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 42' ' ' LEU . 36.0 m -74.65 127.12 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.32 -149.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.594 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -114.74 163.33 15.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.6 tt -104.08 142.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -80.62 159.97 25.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.036 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -43.25 97.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.81 -34.15 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.764 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.39 -42.51 65.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.626 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 mt -71.6 -31.8 67.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.2 mt -55.29 -47.04 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -40.13 95.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 110.389 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -68.95 -32.19 71.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.194 0.521 . . . . 0.0 109.936 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 p -70.77 -12.63 61.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.669 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 mt -61.91 -19.02 62.25 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.936 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.32 46.37 5.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.198 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.411 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 1.6 m -144.46 138.5 27.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.825 0.345 . . . . 0.0 111.031 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.6 t -87.08 140.64 29.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.02 -31.32 56.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.318 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.436 ' HB3' ' CE1' ' A' ' 91' ' ' HIS . 1.2 t0 -78.72 -53.18 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.273 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.3 p -115.83 -179.95 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.057 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.66 78.4 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.744 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.8 p -121.89 138.65 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -95.62 130.21 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 69' ' ' PRO . . . -57.02 -167.4 0.08 OUTLIER Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.402 ' O ' ' HA3' ' A' ' 68' ' ' GLY . 8.5 Cg_exo -72.11 -159.68 1.58 Allowed 'Cis proline' 0 C--N 1.346 0.436 0 C-N-CA 123.642 -1.399 . . . . 0.0 112.342 0.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 66.87 73.51 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.61 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.411 ' CD1' ' N ' ' A' ' 60' ' ' THR . 5.1 mt -133.99 144.11 48.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.048 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.416 ' CE3' HG22 ' A' ' 104' ' ' THR . 22.5 m95 -114.19 159.01 20.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.992 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.43 140.76 32.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.2 t -56.43 131.19 47.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.775 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.0 tp -81.76 -21.63 37.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.483 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 114.46 1.53 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 110.956 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -54.53 -35.5 63.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -76.14 -26.87 56.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -96.56 149.98 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 t -142.71 68.02 1.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.704 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -120.35 144.97 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.056 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.6 t -111.11 120.37 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.784 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.35 162.94 24.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.778 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.7 p -103.43 146.48 28.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 0.0 110.741 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.76 -163.0 8.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.943 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 pm0 -60.89 -17.55 51.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.594 0.235 . . . . 0.0 111.477 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.5 m -62.23 -18.98 62.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.687 0.28 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -122.36 -72.0 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.5 t -147.87 20.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.485 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 49.26 35.4 7.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.922 0.392 . . . . 0.0 111.177 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 63' ' ' ASP . 2.0 m170 -55.16 -37.24 66.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.705 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -59.57 -36.33 76.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.448 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.3 m -71.16 -49.23 46.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.549 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.03 -50.48 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.262 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -59.39 -37.6 78.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.097 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 t -58.82 -43.26 90.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.78 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.423 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.61 -48.8 53.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -49.52 -48.6 48.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.976 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.44 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.8 p -106.55 12.39 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt 57.02 22.13 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.612 0.244 . . . . 0.0 111.461 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 99' ' ' THR . 57.7 m170 -86.64 96.31 10.07 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -90.1 21.08 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.766 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.428 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 2.5 mm? -123.22 116.87 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.416 HG22 ' CE3' ' A' ' 72' ' ' TRP . 7.1 t -137.88 139.48 39.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.861 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.7 p -120.2 126.27 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.428 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -83.14 120.96 26.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.458 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -10.04 59.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.58 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.64 -35.85 52.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.73 0.3 . . . . 0.0 111.308 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.12 -3.9 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.502 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.6 mt 60.39 35.72 20.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.805 0.336 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -114.05 159.34 20.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.6 t -111.72 150.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.415 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 76.6 t-105 -130.91 139.34 50.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.8 110.33 18.92 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.639 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -69.15 -42.04 76.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.618 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -59.67 -52.55 65.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.975 0.416 . . . . 0.0 110.936 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.1 m -69.21 -30.12 68.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.496 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 p 77.29 47.68 0.06 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.814 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.415 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -171.26 171.32 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.04 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -85.59 143.41 28.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.7 m -127.11 164.43 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -116.23 130.97 57.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.75 152.33 42.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -91.05 114.17 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -93.74 -41.06 9.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.981 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -157.25 -45.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.1 mp 69.68 -66.74 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -121.44 -74.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.65 -45.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.846 0.355 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.91 156.13 36.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -160.07 169.57 23.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.72 137.1 77.0 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.591 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.84 -45.68 2.04 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.761 2.308 . . . . 0.0 113.1 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.434 ' CE1' ' HB1' ' A' ' 116' ' ' ALA . 16.4 m80 -46.43 -55.12 7.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.786 0.327 . . . . 0.0 111.41 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' HA ' HG23 ' A' ' 45' ' ' VAL . 3.9 pp -74.06 -36.28 64.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.847 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.86 -21.91 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.247 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 p -82.64 -43.18 17.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.245 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.426 HG23 ' HA ' ' A' ' 42' ' ' LEU . 27.6 m -71.89 170.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.367 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.64 -139.28 8.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.461 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -140.35 150.32 43.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 48' ' ' ILE . 31.8 mt -96.79 152.7 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 p -81.32 159.96 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -30.46 70.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.73 -41.94 95.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.44 -44.18 62.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.058 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.5 mt -65.06 -31.85 73.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 0.4 OUTLIER -53.87 -42.48 53.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 111.141 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.402 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 4.6 mt-30 -67.93 -42.22 81.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.653 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -68.87 -32.28 71.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.92 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.7 p -72.03 -12.33 61.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.623 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.98 -19.06 62.39 Favored 'General case' 0 CA--C 1.528 0.098 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.988 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.79 47.03 2.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.606 -0.806 . . . . 0.0 113.41 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.405 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 16.7 p -144.18 137.96 27.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.404 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 43.8 t -87.37 141.77 28.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -34.33 55.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.441 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -75.09 -53.14 9.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.462 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.3 p -126.64 -176.58 3.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.108 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -97.22 121.42 39.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.589 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' CG1' ' HB2' ' A' ' 61' ' ' CYS . 12.0 p -161.47 138.76 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.253 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -89.89 116.18 27.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.713 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.02 -132.0 0.03 OUTLIER Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.582 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -68.58 -26.25 6.91 Favored 'Cis proline' 0 C--N 1.348 0.522 0 C-N-CA 123.47 -1.471 . . . . 0.0 112.392 0.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.47 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 24.6 m-80 -45.72 93.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.297 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' CD1' ' N ' ' A' ' 60' ' ' THR . 6.0 mt -146.64 145.2 29.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.48 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.8 m95 -109.58 141.76 41.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.56 144.41 49.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.3 t -56.76 137.04 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.8 tp -87.09 -16.17 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.921 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.5 OUTLIER -53.34 135.67 38.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.829 0.347 . . . . 0.0 110.939 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -64.86 -37.75 88.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -25.41 27.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.298 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.7 t -98.37 130.01 45.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.133 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -132.96 62.32 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.421 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -105.06 148.57 26.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.286 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.3 t -108.79 119.8 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.712 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -131.31 162.86 23.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.751 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.9 p -103.42 148.66 25.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.765 0.316 . . . . 0.0 110.621 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.78 -159.55 24.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.837 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -19.01 26.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.538 0.208 . . . . 0.0 111.452 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.3 t -62.09 -18.06 59.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.255 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -126.89 -77.49 0.58 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.751 0.31 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.1 t -142.59 16.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.608 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.64 37.1 19.05 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.94 0.4 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -54.71 -37.75 66.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.715 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -59.18 -36.67 75.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.581 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 88.0 m -71.26 -53.06 15.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.573 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.417 HD11 HG22 ' A' ' 94' ' ' ILE . 3.7 mt -56.11 -48.86 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.333 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -59.87 -38.09 81.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.0 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.2 t -58.04 -43.85 87.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.807 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 93' ' ' THR . 0.6 OUTLIER -70.84 -48.66 52.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.88 0.371 . . . . 0.0 111.176 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -48.61 53.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.339 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.4 p -102.62 10.08 38.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.86 21.93 10.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.727 0.299 . . . . 0.0 111.269 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 99' ' ' THR . 49.5 m170 -89.75 96.12 10.55 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -89.73 21.79 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 2.8 mm? -122.48 116.4 23.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.928 0.394 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.416 HG23 ' CE2' ' A' ' 115' ' ' TYR . 7.4 t -133.65 129.32 36.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.694 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.3 p -120.37 123.89 71.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.933 0.397 . . . . 0.0 111.473 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 6.9 p30 -76.75 124.11 27.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.382 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.51 -15.99 61.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.729 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.47 ' OG1' ' HA ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -82.33 -34.3 28.59 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.218 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.01 -11.09 14.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.1 mt 62.14 30.98 17.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -114.14 138.58 50.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 22.0 t -99.22 150.13 5.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.302 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -129.57 139.31 51.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.8 t -110.68 109.22 19.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.666 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.416 ' CE2' HG23 ' A' ' 104' ' ' THR . 36.3 m-85 -69.3 -41.47 76.71 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.657 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.434 ' HB1' ' CE1' ' A' ' 41' ' ' HIS . . . -59.83 -52.63 64.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.8 m -70.37 -30.12 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.03 51.19 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.544 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.81 -177.89 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.024 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -93.51 144.81 25.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.6 m -136.78 161.22 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -123.49 128.51 49.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.86 125.44 35.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -130.1 169.62 15.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.3 -36.68 4.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.58 32.28 1.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 23.1 mt -129.98 163.21 26.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -172.55 -81.9 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.82 -31.82 11.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.343 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.856 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.819 0.342 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -73.65 152.38 40.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -136.88 143.01 42.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.67 132.92 91.52 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.691 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.83 -44.04 8.58 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.757 2.304 . . . . 0.0 113.248 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 20.5 m80 -47.57 -55.41 9.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.391 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.441 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 3.9 pp -73.23 -33.82 65.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 0.0 110.969 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -55.42 -21.86 17.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.322 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -83.77 -43.1 15.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.689 0.281 . . . . 0.0 111.284 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.4 HG23 ' HA ' ' A' ' 42' ' ' LEU . 21.4 m -69.09 146.87 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.109 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.97 -123.44 0.83 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.43 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -139.06 162.41 35.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -102.26 137.49 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 p -76.83 159.94 29.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.33 -45.48 94.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.715 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.74 -32.85 69.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.39 -42.43 65.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.59 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.71 -31.98 67.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.8 mt -57.9 -45.6 87.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.812 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -66.44 -41.35 89.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.621 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -69.01 -32.23 71.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.065 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.7 p -71.82 -12.82 61.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.423 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.1 mt -62.29 -19.07 62.89 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.603 0.24 . . . . 0.0 110.999 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.5 45.0 5.09 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.986 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.5 p -144.09 138.72 28.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.972 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.5 t -86.8 143.01 27.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -30.05 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.149 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.58 -53.15 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.189 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.3 p -120.73 -169.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.92 108.58 17.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.9 m -146.5 115.23 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -72.48 128.71 36.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.83 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.75 -176.53 0.22 Allowed Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.394 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.45 -156.45 1.2 Allowed 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 123.683 -1.382 . . . . 0.0 112.314 0.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 66.11 71.53 0.41 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.774 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.8 mt -137.62 143.49 41.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.404 ' CE3' HG22 ' A' ' 104' ' ' THR . 30.8 m95 -112.96 160.74 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.14 140.84 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.3 t -58.52 133.69 56.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.67 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.5 tp -84.49 -17.4 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.897 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.41 133.0 45.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -65.29 -40.77 94.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.003 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -79.14 -16.01 57.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.281 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 t -109.22 123.94 50.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.897 0.379 . . . . 0.0 111.276 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.54 57.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.437 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -104.66 147.81 27.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.404 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 t -105.03 128.5 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.793 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.84 159.12 26.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.1 p -103.43 135.44 45.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.784 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.16 -159.89 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.815 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.43 -16.41 62.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.66 0.267 . . . . 0.0 111.491 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -62.33 -17.81 59.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.38 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -125.21 -78.13 0.6 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.629 0.252 . . . . 0.0 111.341 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 t -136.96 18.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.746 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.13 30.44 9.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.737 0.303 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -54.22 -38.66 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 m -59.21 -36.17 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.659 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -51.0 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.648 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.33 -49.59 79.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.308 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -59.07 -39.13 81.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.141 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -58.01 -43.75 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.778 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.424 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.79 -48.74 52.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.876 0.37 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -50.26 -48.7 54.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.116 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.447 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 45.7 p -103.71 10.75 36.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.1 mttm 58.23 22.04 8.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.701 0.286 . . . . 0.0 111.29 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 99' ' ' THR . 54.7 m170 -87.85 96.38 10.45 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -91.56 30.0 1.4 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.655 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 3.6 mm? -136.09 117.99 15.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.404 HG22 ' CE3' ' A' ' 72' ' ' TRP . 8.0 t -135.79 144.32 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.5 p -120.17 122.91 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.326 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -82.47 121.54 26.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.31 -9.7 58.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.54 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.1 m -75.74 -43.02 48.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 111.28 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.05 3.46 11.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.7 mt 55.94 38.27 29.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.793 0.33 . . . . 0.0 111.231 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -114.01 151.68 32.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.9 t -106.57 150.24 9.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.411 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 69.3 t-105 -129.59 140.09 51.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.447 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.2 t -114.07 111.27 21.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.352 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -69.18 -41.14 77.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.629 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.427 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -60.18 -52.62 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 111.015 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 m -69.63 -30.26 67.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.506 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 77.39 51.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.676 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.411 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.55 171.76 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.909 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -85.89 133.08 33.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.72 165.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -123.57 136.04 54.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -112.09 152.49 28.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.41 160.84 28.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -105.0 -30.44 9.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.2 tttm 62.55 148.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 mp -61.84 145.72 51.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 109.47 56.57 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.79 -31.39 9.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -129.5 126.11 37.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -127.55 -179.82 5.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.65 135.28 22.36 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.21 -45.59 3.7 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.794 2.33 . . . . 0.0 113.193 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.439 ' CE1' ' CB ' ' A' ' 116' ' ' ALA . 16.5 m80 -46.49 -55.15 7.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.457 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.447 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 4.0 pp -75.23 -32.88 61.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.888 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -57.83 -22.04 45.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.078 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.33 -43.17 11.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.6 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.4 m -72.72 136.0 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.887 0.375 . . . . 0.0 111.067 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.94 -149.56 8.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -119.77 165.22 14.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.916 0.389 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mt -107.28 150.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 p -78.28 160.01 28.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -61.24 -32.93 72.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -43.56 98.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -38.87 67.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.025 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.4 mt -71.73 -31.95 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.431 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -55.43 -43.8 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.78 0.324 . . . . 0.0 111.04 -179.737 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -68.6 -39.14 81.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.558 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HG2' ' CG2' ' A' ' 82' ' ' VAL . 48.4 mttt -67.98 -32.38 72.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.184 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.9 p -71.82 -12.9 61.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.401 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.53 -19.1 63.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.642 0.258 . . . . 0.0 111.069 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.78 49.05 4.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 113.043 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.0 p -144.26 138.45 27.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 111.004 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.3 t -86.91 137.65 32.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -77.16 -31.5 55.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.64 -53.07 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.224 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -126.24 -169.17 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.955 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -118.95 76.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.788 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.9 m -105.44 -28.62 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 61.72 149.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.1 -164.45 17.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.425 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.82 -166.38 3.27 Favored 'Cis proline' 0 C--N 1.346 0.433 0 C-N-CA 123.423 -1.49 . . . . 0.0 112.248 0.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.0 m120 64.97 61.44 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mt -112.46 141.23 46.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.813 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -114.96 120.64 40.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.48 144.06 34.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.3 t -58.93 144.13 45.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.763 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.1 tp -95.82 -15.53 22.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.933 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.4 133.83 40.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.906 0.384 . . . . 0.0 110.968 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -60.38 -40.55 91.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.036 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -85.06 -15.55 43.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.457 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.68 119.92 40.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 111.435 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -124.26 43.35 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.44 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -79.69 148.59 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.372 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.41 ' CG2' ' HG2' ' A' ' 56' ' ' LYS . 4.5 t -105.99 122.93 60.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.739 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.01 166.55 24.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.77 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.7 p -107.62 140.71 40.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 110.68 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.34 -176.24 10.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.99 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.15 -21.87 48.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.653 0.264 . . . . 0.0 111.263 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.31 -18.24 60.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.181 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -120.43 -66.27 1.07 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.221 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.0 t -148.6 20.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.661 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 43.85 30.4 0.39 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.77 0.319 . . . . 0.0 111.52 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -36.91 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.392 . . . . 0.0 110.684 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.3 t -61.5 -35.56 78.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.0 m -71.09 -52.37 19.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.63 -49.36 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.246 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -58.64 -39.19 79.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.07 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.2 t -58.48 -42.76 88.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.62 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.419 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.59 -48.96 52.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.927 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.1 -48.59 53.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.053 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.441 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 54.1 p -104.78 10.78 34.45 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp 58.05 22.01 8.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.582 0.23 . . . . 0.0 111.383 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 99' ' ' THR . 52.3 m170 -87.06 96.2 10.21 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -89.22 19.02 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.916 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.447 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 4.5 mm? -125.26 119.51 28.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.043 0.449 . . . . 0.0 111.236 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.6 t -134.12 141.86 47.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.753 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.5 p -120.36 113.19 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.265 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -69.43 120.44 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.499 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.24 -8.55 55.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.555 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -76.59 -42.99 40.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.273 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.08 2.51 11.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.617 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.3 mt 58.85 32.93 22.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.795 0.331 . . . . 0.0 111.072 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -105.92 149.33 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.6 t -105.92 150.03 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.212 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.419 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 57.1 t-105 -131.92 143.59 50.24 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.8 t -114.53 112.81 23.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.679 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -69.43 -42.14 75.39 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.45 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.439 ' CB ' ' CE1' ' A' ' 41' ' ' HIS . . . -60.8 -52.72 63.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.813 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.3 m -68.97 -30.16 68.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.205 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 74.52 55.06 0.08 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.589 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.419 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -173.64 -178.88 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.61 142.0 28.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.48 161.93 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.184 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -121.37 131.57 54.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.0 mt -67.65 150.44 48.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.63 120.75 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -97.48 -31.25 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -68.33 107.58 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.52 -178.38 7.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.01 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.2 -41.2 0.54 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.562 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.74 -30.8 21.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.777 0.322 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.866 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.761 0.315 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -105.85 -66.13 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -94.22 -179.79 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 133.62 44.09 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.699 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.32 -45.59 3.59 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.828 2.352 . . . . 0.0 113.11 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.446 ' CE1' ' CB ' ' A' ' 116' ' ' ALA . 15.6 m80 -46.63 -55.3 7.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.493 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.419 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 4.2 pp -74.79 -32.86 62.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.905 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.42 -22.06 40.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.203 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -87.01 -43.21 12.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.399 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.38 135.91 26.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.869 0.366 . . . . 0.0 111.271 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.93 -123.7 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.589 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -140.62 164.09 31.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 111.069 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -99.45 139.02 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 p -76.84 159.87 29.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -62.65 -42.79 99.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.621 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -58.84 -32.82 69.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.35 -50.25 28.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' HA ' HD21 ' A' ' 53' ' ' LEU . 99.2 mt -63.82 -31.98 73.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.1 mt -53.9 -44.18 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.07 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -40.06 80.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.618 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' CD ' ' CB ' ' A' ' 73' ' ' ALA . 15.5 mttt -68.98 -32.2 71.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.923 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -70.82 -12.69 61.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.448 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.4 mt -62.17 -19.05 62.68 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.974 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.01 41.69 5.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.199 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.6 p -144.14 138.36 28.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.34 . . . . 0.0 110.945 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.14 140.52 29.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -77.09 -32.18 56.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -74.94 -53.05 9.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.0 p -122.52 175.68 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.55 82.78 3.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.8 p -126.36 144.65 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.97 145.59 25.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.38 -145.31 1.0 Allowed Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.406 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.4 ' HB2' ' CG2' ' A' ' 108' ' ' THR . 58.6 Cg_endo -71.26 -42.3 0.82 Allowed 'Cis proline' 0 C--N 1.347 0.475 0 C-N-CA 123.365 -1.515 . . . . 0.0 112.367 0.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.465 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 15.9 m-20 -43.03 109.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.441 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mt -156.97 143.26 18.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.064 0.459 . . . . 0.0 111.224 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.441 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 37.6 m95 -105.52 159.32 16.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.412 ' CB ' ' CD ' ' A' ' 56' ' ' LYS . . . -142.88 144.66 32.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.0 t -61.43 132.7 54.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.531 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.2 tp -85.04 -17.35 37.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.71 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -53.41 125.41 17.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -60.71 -37.42 81.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -20.02 46.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.195 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.05 150.0 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.069 0.461 . . . . 0.0 111.286 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.6 m -145.49 59.7 1.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.209 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.24 142.21 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.401 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.0 t -104.8 119.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.61 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.0 162.09 25.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.091 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.9 p -103.42 148.43 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.685 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.1 -169.21 31.13 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.053 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.45 -21.79 39.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 111.299 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.4 m -62.23 -17.2 57.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.31 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.99 -70.72 0.74 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.228 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.4 t -146.83 16.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 t0 47.4 33.49 2.78 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.943 0.401 . . . . 0.0 111.25 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -55.45 -35.56 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.614 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -60.74 -36.57 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.543 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.0 m -71.43 -48.9 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.422 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.15 -51.51 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.957 0.408 . . . . 0.0 110.367 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.11 -35.9 76.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.014 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -59.67 -42.26 92.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.825 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.415 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.75 -48.83 52.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.829 0.347 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.32 -48.67 55.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.076 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 52.1 p -103.59 10.45 36.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm 58.05 22.14 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 111.289 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 99' ' ' THR . 54.7 m170 -87.32 96.5 10.37 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -91.53 29.89 1.41 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.562 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 3.2 mm? -132.55 117.35 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 0.0 110.863 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.423 HG22 ' CE3' ' A' ' 72' ' ' TRP . 4.7 t -135.29 137.54 42.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.9 p -120.41 125.35 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.088 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 9.7 p30 -81.19 123.54 28.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.52 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.29 -16.88 61.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.44 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.465 ' OG1' ' HA ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -82.13 -27.09 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.753 -179.2 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.93 -10.26 11.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.603 0.24 . . . . 0.0 111.583 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.8 mt 60.77 29.61 19.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.792 0.329 . . . . 0.0 111.051 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -114.07 158.33 21.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.82 150.18 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 69.0 t-105 -131.1 140.37 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.967 0.413 . . . . 0.0 111.39 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.0 t -113.09 112.33 23.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -69.24 -42.06 76.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.602 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.446 ' CB ' ' CE1' ' A' ' 41' ' ' HIS . . . -60.96 -52.61 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 111.106 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.8 m -69.93 -30.05 67.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.419 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.26 52.0 0.05 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.768 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.421 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.3 OUTLIER -176.51 170.16 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.85 136.33 34.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.785 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 m -126.1 168.89 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -123.62 133.86 53.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -83.39 145.44 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -162.95 120.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -38.15 7.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -149.48 135.86 19.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.2 mt -90.9 143.58 26.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -162.02 -53.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.424 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.6 m -141.23 -66.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.912 0.387 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.781 0.324 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -114.67 151.9 32.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.414 ' NE2' ' CZ ' ' A' ' 122' ' ' PHE . 2.3 t-160 -72.25 170.87 13.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 133.43 65.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.485 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.13 -44.24 2.64 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.776 2.317 . . . . 0.0 113.088 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.419 ' CE1' ' HB1' ' A' ' 116' ' ' ALA . 18.5 m80 -46.44 -55.17 7.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.457 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.82 -36.45 59.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -59.66 -22.09 61.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.152 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.3 p -85.21 -43.04 14.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 111.311 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.2 m -76.14 156.92 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.215 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.03 155.38 16.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.33 157.04 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.406 HG23 HD11 ' A' ' 48' ' ' ILE . 31.7 mt -100.1 148.78 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.1 p -76.93 160.54 29.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -61.92 -30.2 70.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.3 -46.86 86.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.67 -35.77 67.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.42 -31.81 67.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 2.6 tp -53.36 -42.39 47.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.414 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 1.2 mp0 -68.55 -40.79 80.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.518 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -69.15 -32.24 71.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.074 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 p -72.58 -12.76 61.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.585 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.22 -19.11 62.82 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.695 0.283 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.43 50.99 3.42 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.984 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.9 p -144.25 138.56 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.0 t -86.95 142.7 27.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.773 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -28.06 54.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.23 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -89.38 -52.16 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.106 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.9 p -118.56 -164.26 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.52 70.01 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.882 0.372 . . . . 0.0 110.746 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.8 m -88.27 -20.71 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.478 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 64.16 134.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.75 -171.22 10.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.559 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -71.93 -163.97 2.87 Favored 'Cis proline' 0 C--N 1.346 0.439 0 C-N-CA 123.532 -1.445 . . . . 0.0 112.334 0.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.94 71.82 0.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.702 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 mt -136.37 141.76 43.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.993 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 24.5 m95 -107.47 159.08 16.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.34 143.3 35.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.2 t -58.69 133.05 55.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.7 tp -83.49 -20.2 34.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.503 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.34 119.9 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 110.993 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.05 -35.25 71.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -78.59 -28.07 45.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -94.3 149.31 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 p -142.3 50.34 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.565 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -99.32 146.29 26.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.211 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 t -112.47 128.83 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.712 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.33 164.4 26.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.786 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.0 p -103.45 140.45 37.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.655 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.96 -171.16 2.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.845 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -17.04 62.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.65 0.262 . . . . 0.0 111.315 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -18.74 62.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.063 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.36 -70.85 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.069 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.7 t -143.76 16.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.644 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.46 32.5 3.36 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.917 0.389 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -37.18 65.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.655 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -36.37 78.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 85.8 m -70.15 -49.53 49.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.34 -49.59 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.304 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -58.57 -39.23 79.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.997 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.7 t -58.39 -41.7 85.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.691 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.51 -48.76 54.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.905 0.383 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.32 -48.61 55.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.907 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.474 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 58.8 p -108.43 17.67 21.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.538 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 99' ' ' THR . 6.9 ptpt 50.93 23.32 1.42 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 99' ' ' THR . 63.9 m170 -83.65 95.95 8.53 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.403 ' HB3' ' HB2' ' A' ' 115' ' ' TYR . 17.8 m-85 -88.44 14.07 10.49 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 2.5 mm? -116.54 117.17 29.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.809 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.408 HG22 ' CE3' ' A' ' 72' ' ' TRP . 5.0 t -136.64 138.96 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.2 p -120.89 125.37 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.352 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 2.7 p30 -81.19 121.81 26.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.651 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.32 -11.48 60.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.659 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -40.2 22.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.743 0.306 . . . . 0.0 111.724 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.31 -6.79 14.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.715 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.7 mt 60.5 35.16 20.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -114.08 149.73 35.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.9 t -102.49 150.17 6.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.223 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.41 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 75.8 t-105 -131.22 141.16 49.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.5 t -118.07 108.91 15.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.694 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 54.5 m-85 -69.23 -39.76 78.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.457 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.419 ' HB1' ' CE1' ' A' ' 41' ' ' HIS . . . -60.86 -52.71 63.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.98 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.7 m -69.11 -30.07 68.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.452 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 m 77.83 50.43 0.04 OUTLIER 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.41 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.57 174.81 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.954 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.78 142.83 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.1 m -127.79 178.11 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.414 ' CZ ' ' NE2' ' A' ' 38' ' ' HIS . 18.4 p90 -122.57 159.48 27.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.88 158.77 16.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.7 153.61 31.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.29 -31.33 7.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.28 120.53 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 13.3 mt -77.69 92.4 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -74.4 -65.24 2.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.9 m -148.95 -46.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.831 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.891 0.377 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -85.96 74.02 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 59.53 -171.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.78 132.9 25.2 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.536 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.38 -43.05 3.23 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.688 2.259 . . . . 0.0 113.169 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.411 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 19.2 m80 -47.51 -55.14 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.282 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.35 -36.03 61.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.881 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.33 -21.99 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.316 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -85.97 -43.1 13.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.293 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.91 155.34 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 111.267 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.18 -130.82 3.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.451 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.58 153.18 46.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.335 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.8 mm -91.59 142.64 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.4 p -78.96 160.07 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.758 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.61 -47.45 85.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.795 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.86 -31.26 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.23 -51.0 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.9 mt -62.75 -32.46 73.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.8 mm -55.81 -44.0 76.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -47.65 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.373 . . . . 0.0 110.731 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -64.59 -32.18 73.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.18 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 p -72.4 -12.44 61.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.529 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.06 -19.0 62.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.641 0.258 . . . . 0.0 111.021 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.95 45.89 4.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.378 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.2 p -144.23 138.16 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.97 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.4 t -87.12 138.84 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.783 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.11 -27.71 54.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -53.04 5.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.218 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.6 p -121.12 -165.73 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 66.25 1.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.808 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.7 m -94.0 -27.04 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.255 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 62.54 151.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.65 -161.39 15.36 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.05 -167.07 3.64 Favored 'Cis proline' 0 C--N 1.346 0.396 0 C-N-CA 123.237 -1.568 . . . . 0.0 112.342 0.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.6 m120 66.01 68.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.736 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mt -116.73 141.78 47.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.988 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -117.16 133.73 55.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.029 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.86 145.69 45.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.001 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.6 t -57.22 140.16 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.714 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.1 tp -90.59 -15.51 30.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.836 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.428 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 7.2 tp10 -53.47 142.8 21.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.712 0.291 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -70.51 -38.35 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -26.51 27.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.428 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.5 t -96.19 135.6 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.952 0.406 . . . . 0.0 111.172 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.15 48.63 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.232 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -84.36 148.32 26.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.411 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.9 t -111.52 116.49 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.655 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -132.82 167.59 23.19 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.914 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 p -107.02 144.49 33.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.52 -173.62 13.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.933 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -20.69 47.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.59 0.233 . . . . 0.0 111.259 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.24 -19.03 62.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.047 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.81 -67.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.955 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.0 t -148.98 17.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.778 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t0 46.76 30.93 1.28 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.897 0.379 . . . . 0.0 111.167 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.23 -38.33 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.708 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -36.93 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.525 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.423 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 26.8 m -70.22 -52.7 21.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.52 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.5 -47.76 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.385 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.96 -38.87 83.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.087 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.2 t -57.98 -43.67 86.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.758 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 93' ' ' THR . 0.7 OUTLIER -70.84 -48.71 52.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.931 0.396 . . . . 0.0 111.076 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -48.6 55.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.193 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.441 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.2 p -103.32 10.41 37.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.2 mttm 59.17 21.87 10.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.65 0.262 . . . . 0.0 111.263 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 99' ' ' THR . 52.8 m170 -89.37 96.15 10.59 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -89.71 22.78 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.679 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 103' ' ' LEU . 3.0 mm? -124.03 117.17 24.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.919 0.39 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.6 t -138.02 135.88 36.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.675 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.0 p -120.16 121.57 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.354 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -76.28 120.82 22.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.432 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.27 -8.28 53.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.791 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 m -81.1 -34.54 32.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.715 0.293 . . . . 0.0 111.261 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.61 -8.1 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.567 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 mt 63.66 33.36 13.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 0.0 110.976 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.1 138.79 49.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.91 150.23 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.403 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 65.1 t-105 -131.6 142.42 49.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.337 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.3 t -114.74 111.94 22.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.63 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -69.3 -42.05 75.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.53 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -60.66 -52.49 64.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.965 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.3 -30.1 69.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.462 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.7 p 77.15 47.71 0.06 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.403 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -171.89 173.06 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.958 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -83.36 148.34 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.974 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 m -136.14 169.35 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -123.58 136.67 54.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.71 146.9 44.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -101.25 148.53 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.22 -32.97 65.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -75.48 154.84 36.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.98 169.81 17.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -116.22 -33.22 1.52 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.87 -73.76 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.969 0.414 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.853 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.839 0.352 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -145.44 166.8 24.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -160.49 177.74 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.57 132.94 39.23 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.468 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.42 -44.01 3.74 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.686 2.257 . . . . 0.0 113.185 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 17.4 m80 -47.26 -55.16 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.686 0.279 . . . . 0.0 111.331 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 4.1 pp -75.98 -32.51 59.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.95 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -62.3 -22.16 65.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.235 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.0 p -85.18 -43.3 13.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.197 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.71 126.11 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.63 -171.88 0.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.44 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.12 145.09 26.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.3 tt -87.92 146.7 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -88.67 160.1 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -59.58 -44.54 93.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.77 -33.09 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.775 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.31 -43.5 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.752 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.3 mt -70.9 -32.04 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.041 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.7 mt -55.15 -41.77 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.11 -47.88 75.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 110.525 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -65.86 -32.18 73.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.857 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 p -71.48 -12.44 61.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.533 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.96 -19.07 62.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.94 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.85 44.35 4.84 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.3 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.5 p -144.15 138.19 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.014 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.7 t -87.25 144.36 26.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.794 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -34.09 56.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.233 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -81.31 -53.17 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.199 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.5 p -121.2 -165.24 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.73 103.44 12.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.1 t -129.19 111.23 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -77.56 125.44 29.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.02 168.42 3.96 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.562 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.85 -159.51 1.96 Allowed 'Cis proline' 0 C--N 1.346 0.436 0 C-N-CA 123.645 -1.398 . . . . 0.0 112.241 0.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 69.12 78.33 0.21 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.9 mt -152.64 144.55 23.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -114.19 160.03 19.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.99 141.05 31.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.35 132.69 51.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.781 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 tp -84.63 -15.12 46.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.625 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.42 134.07 53.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -65.94 -40.09 91.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.35 -24.52 50.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -100.06 134.25 43.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 111.166 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 t -127.89 39.85 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.375 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -87.82 148.55 24.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.286 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.7 t -113.85 129.53 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.677 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -142.99 161.33 27.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.882 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.7 p -103.52 142.63 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.706 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.66 -164.94 6.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.065 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.86 -18.83 47.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.595 0.236 . . . . 0.0 111.468 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -62.13 -18.18 60.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.727 0.298 . . . . 0.0 111.145 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -122.89 -73.12 0.66 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.9 t -144.35 17.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.642 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.1 t0 52.63 32.06 11.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.41 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -54.68 -37.12 65.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.671 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -36.79 77.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.565 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 92.1 m -71.27 -49.84 38.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.499 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.16 -50.61 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.258 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -59.33 -37.78 78.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.071 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.2 t -58.73 -42.9 89.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.727 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.64 -48.89 52.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.841 0.353 . . . . 0.0 110.933 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.05 -48.68 52.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.06 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.442 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 49.0 p -105.24 11.91 32.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mttp 56.99 22.17 6.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.685 0.278 . . . . 0.0 111.285 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.1 m170 -87.51 96.39 10.38 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -90.84 29.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.67 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.433 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 3.4 mm? -132.26 117.19 17.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.853 0.358 . . . . 0.0 111.016 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.3 t -134.16 139.15 45.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.739 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.6 p -120.17 120.62 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 0.0 111.285 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -80.87 119.69 23.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.585 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -11.91 60.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.55 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -45.34 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.163 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.06 -0.08 11.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.548 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.7 mt 62.27 40.97 10.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.809 0.338 . . . . 0.0 111.092 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.14 148.28 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.8 t -105.09 150.13 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.034 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 73.7 t-105 -131.39 140.09 49.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 111.298 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.5 t -115.03 110.86 20.23 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.556 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -69.24 -42.06 76.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.554 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -59.77 -52.54 65.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.907 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.7 m -69.25 -30.19 68.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.327 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 m 76.19 51.93 0.06 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.718 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.61 178.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -85.38 149.48 25.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.7 m -138.89 164.75 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -123.64 148.5 46.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -98.75 150.35 21.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -108.32 113.26 26.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -109.38 -33.43 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.8 117.08 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.9 mt -127.56 22.86 6.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 54.21 46.11 72.0 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.708 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.79 -79.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.826 0.346 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.94 -53.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -89.55 177.18 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.91 132.86 22.9 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.548 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.03 -45.4 3.02 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.714 2.276 . . . . 0.0 113.132 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 13.8 m80 -45.8 -54.98 7.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.482 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HA ' HG23 ' A' ' 45' ' ' VAL . 4.2 pp -73.45 -39.11 65.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.82 -21.73 31.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.394 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 t -80.87 -43.09 20.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.745 0.307 . . . . 0.0 111.157 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.416 HG23 ' HA ' ' A' ' 42' ' ' LEU . 35.4 m -66.39 157.13 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.153 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.23 -129.02 2.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -140.57 157.98 44.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.332 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.8 tt -110.25 144.6 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 p -94.2 159.91 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.999 0.428 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -29.56 70.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -46.79 87.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -72.55 -44.65 61.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.3 mt -59.5 -31.79 69.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.389 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -57.66 -44.29 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.35 . . . . 0.0 111.039 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 2.8 tm0? -69.02 -40.9 78.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -69.05 -32.45 71.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.947 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -70.76 -12.49 61.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.382 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.89 -19.07 62.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.708 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.7 51.32 3.09 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.42 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.7 p -144.18 138.34 28.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.922 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.4 t -87.24 138.17 31.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.816 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -30.06 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.136 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -78.47 -53.07 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.183 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.0 p -125.25 -174.4 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.032 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 112.64 24.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.737 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 37.8 t -153.74 123.49 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -95.55 102.82 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.96 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.58 -177.6 0.01 OUTLIER Glycine 0 CA--C 1.52 0.403 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.853 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -93.02 -70.66 0.0 OUTLIER 'Cis proline' 0 N--CA 1.455 -0.788 0 C-N-CA 123.911 -1.287 . . . . 0.0 112.375 -0.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -68.14 106.94 2.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt -114.03 141.31 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -109.24 145.43 35.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.92 136.59 47.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.82 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.75 131.99 48.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.955 0.407 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.5 tp -84.71 -14.15 49.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.797 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.83 134.91 48.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.791 0.329 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -65.93 -38.49 88.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.075 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -19.36 37.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.314 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -106.02 125.13 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 111.168 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -123.12 43.37 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -90.18 148.11 23.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.269 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.6 t -114.27 127.66 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.85 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -135.15 165.56 24.63 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.809 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.6 p -103.34 144.68 31.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.708 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.5 -163.32 5.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.88 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -13.42 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.544 0.211 . . . . 0.0 111.529 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -17.57 58.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.187 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.4 -76.82 0.56 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.597 0.237 . . . . 0.0 111.214 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.0 t -135.81 14.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.864 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 t0 50.87 37.19 16.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.891 0.377 . . . . 0.0 110.833 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -54.34 -36.58 63.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.707 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -37.5 81.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.563 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.1 m -70.83 -52.57 19.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.744 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.17 -49.82 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.012 0.434 . . . . 0.0 110.392 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -58.2 -39.49 79.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.174 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 t -58.24 -44.48 88.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.832 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.419 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -70.75 -48.9 51.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.897 0.38 . . . . 0.0 111.071 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.42 -48.62 56.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.214 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 41.5 p -103.62 11.65 35.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 57.83 21.99 8.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.795 0.331 . . . . 0.0 111.274 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 99' ' ' THR . 58.2 m170 -88.38 96.35 10.56 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -90.79 22.77 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.674 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.41 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 2.8 mm? -123.01 117.01 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.911 0.386 . . . . 0.0 110.788 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.4 t -139.04 132.43 30.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.3 p -120.19 122.49 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 111.391 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -78.45 126.35 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.212 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -34.66 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.714 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.03 -30.74 70.03 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.98 -15.79 14.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.658 0.266 . . . . 0.0 111.518 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.3 mt 62.39 28.22 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.298 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -114.34 150.71 34.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.029 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 t -104.28 146.09 12.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.426 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 71.7 t-105 -127.38 142.54 51.4 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 111.57 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 25.5 t -118.17 111.34 18.71 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.442 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -69.29 -42.06 75.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.709 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -58.39 -52.63 64.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.986 0.422 . . . . 0.0 110.715 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.5 m -69.81 -30.05 67.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.057 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.2 m 74.67 51.78 0.09 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.719 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.426 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 1.9 ptmt -176.53 178.26 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.406 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.47 147.51 30.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.649 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.3 m -147.0 166.6 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.931 0.396 . . . . 0.0 111.293 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -123.68 144.53 49.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.843 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 pp -114.03 154.96 26.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.982 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.73 161.12 29.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -29.53 9.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.048 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -142.68 145.95 33.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.84 77.35 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -117.92 30.67 6.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.406 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.75 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.935 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.814 0.34 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -111.06 85.14 2.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -141.72 162.79 34.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.88 133.55 48.49 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.584 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.12 -42.47 3.0 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.74 2.294 . . . . 0.0 113.141 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 21.3 m80 -48.34 -55.34 10.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.341 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 4.1 pp -75.66 -36.12 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.008 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -55.05 -21.93 14.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.524 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.34 -43.02 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 111.388 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.7 m -67.24 -176.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.398 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.54 -136.04 4.54 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.402 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -140.58 154.75 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.331 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.8 mt -105.25 150.55 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.7 p -76.76 160.1 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.66 -32.46 72.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.775 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.7 -42.8 99.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -43.94 62.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.109 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.3 mt -65.89 -32.0 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.407 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -55.67 -41.76 66.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.838 0.351 . . . . 0.0 111.103 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.406 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 39.6 mt-30 -66.95 -42.67 84.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -69.05 -32.31 71.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.235 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.9 p -74.51 -12.68 60.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.523 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.26 -19.13 62.9 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.716 0.294 . . . . 0.0 111.091 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.77 45.74 3.58 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.966 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.0 p -144.04 138.58 28.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 111.013 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.4 t -86.87 139.98 30.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.03 -30.0 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.95 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.68 -53.07 5.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -114.27 -172.6 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.034 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -116.61 104.3 11.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 m -136.04 -179.72 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -124.21 119.03 28.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.79 -138.15 0.01 OUTLIER Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.354 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.98 -36.55 1.93 Allowed 'Cis proline' 0 C--N 1.347 0.496 0 C-N-CA 123.617 -1.41 . . . . 0.0 112.272 0.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 0.4 OUTLIER -43.62 112.96 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.454 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 mt -159.11 145.32 16.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.417 ' CE2' ' HB3' ' A' ' 106' ' ' ASN . 9.4 m95 -115.4 143.32 45.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.155 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.66 145.34 49.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.809 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.0 t -57.4 131.86 51.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 tp -78.43 -23.98 46.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.595 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -53.54 120.03 5.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 110.954 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -57.08 -35.93 69.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.201 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -78.91 -21.23 47.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.7 122.82 46.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.207 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.42 73.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.461 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -121.3 142.79 49.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.414 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.6 t -106.35 120.55 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.632 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -130.85 167.55 22.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.853 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.4 p -107.91 147.48 30.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.907 0.384 . . . . 0.0 110.718 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.83 -169.16 35.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.948 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -56.05 -20.95 19.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.642 0.258 . . . . 0.0 111.526 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -62.17 -18.24 60.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.82 -70.62 0.74 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.022 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.9 t -146.54 16.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.82 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.28 33.12 2.43 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.997 0.427 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -54.37 -34.22 60.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.686 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -39.67 87.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -48.77 57.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.521 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.31 -49.38 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.281 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.407 ' HA ' ' HG2' ' A' ' 98' ' ' GLU . 8.0 t60 -58.97 -37.07 75.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.113 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 t -61.45 -41.84 97.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.226 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.83 -49.76 42.79 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.861 -179.253 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 95' ' ' HIS . 26.5 pt-20 -55.24 -48.11 74.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.451 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 49.4 p -97.17 9.43 42.18 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp 55.51 22.3 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.681 0.277 . . . . 0.0 111.227 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 99' ' ' THR . 61.3 m170 -87.46 96.17 10.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.037 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -88.99 27.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.763 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.402 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 2.9 mm? -128.0 116.56 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.424 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.9 t -136.29 131.69 34.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.592 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.0 p -120.16 119.3 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.406 . . . . 0.0 111.382 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.417 ' HB3' ' CE2' ' A' ' 72' ' ' TRP . 3.6 p30 -73.83 120.47 19.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.419 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.32 -13.56 61.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.584 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -82.11 -30.43 31.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.683 -179.546 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.33 -8.96 11.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.583 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.5 mt 61.77 30.47 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 111.024 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -114.17 140.77 48.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 28.7 t -97.38 150.16 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.229 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.409 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 71.3 t-105 -131.0 141.68 50.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.6 t -117.74 112.52 20.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.608 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -69.23 -42.1 76.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.641 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -59.87 -52.54 65.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.933 0.397 . . . . 0.0 110.977 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.8 m -68.97 -30.17 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 m 76.45 52.18 0.05 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.686 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.409 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.42 177.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.057 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -88.53 146.44 25.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.7 m -134.69 172.07 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -119.04 135.08 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 42.7 tp -100.18 156.83 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.25 122.64 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.78 -33.46 6.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -86.59 101.83 13.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 mt -124.11 164.39 19.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.35 -34.18 33.26 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.4 m -89.11 -31.59 17.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.97 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.752 0.31 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -91.28 69.89 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.42 ' CE1' HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -66.44 -168.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.951 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 137.07 20.67 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.62 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.01 -44.47 3.87 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.735 2.29 . . . . 0.0 113.19 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.425 ' CE1' ' CB ' ' A' ' 116' ' ' ALA . 23.4 m80 -47.5 -55.51 8.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 111.292 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 38' ' ' HIS . 3.8 pp -75.16 -31.51 61.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.912 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -60.51 -22.05 63.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.59 -43.27 12.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.242 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 42' ' ' LEU . 27.0 m -73.01 125.25 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.76 -151.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.515 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -121.12 147.07 46.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 0.0 111.057 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.9 tt -83.59 144.61 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.8 p -81.36 159.82 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.95 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -32.53 74.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.824 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.7 -41.82 98.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.48 -46.64 53.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD21 ' CD2' ' A' ' 107' ' ' LEU . 56.4 mt -62.95 -31.93 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.359 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 2.4 tp -55.77 -42.59 70.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 111.092 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 32.3 tt0 -68.63 -47.24 67.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.604 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' CD ' ' CB ' ' A' ' 73' ' ' ALA . 45.2 mttt -63.96 -32.24 73.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.91 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 p -70.03 -12.82 61.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.502 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 19.7 mt -62.4 -19.06 63.04 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.6 45.98 4.44 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.257 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.404 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 69.3 p -144.19 138.64 28.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 37.1 t -86.86 137.96 31.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.817 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -77.19 -34.25 56.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.66 -53.07 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.33 -174.91 3.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.87 105.63 16.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.728 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.8 t -149.06 124.34 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.115 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -92.14 102.96 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.806 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.34 -174.58 0.02 OUTLIER Glycine 0 CA--C 1.521 0.463 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.787 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -93.27 -69.6 0.0 OUTLIER 'Cis proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.934 -1.277 . . . . 0.0 112.309 0.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -66.47 93.34 0.23 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.059 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' A' ' 60' ' ' THR . 3.6 mt -101.81 140.27 36.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 31.3 m95 -111.06 149.01 31.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.412 ' CB ' ' CD ' ' A' ' 56' ' ' LYS . . . -135.98 142.05 44.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.0 t -56.83 135.31 55.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.796 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.9 tp -85.43 -15.85 41.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.693 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.2 129.21 39.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.768 0.318 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -62.61 -36.56 83.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.206 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -83.87 -20.6 32.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.341 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 t -103.26 127.56 50.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 111.195 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -127.8 69.44 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.44 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -112.97 146.78 38.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.263 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.8 t -109.34 120.99 61.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.822 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.09 163.81 25.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.818 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.2 p -103.28 135.47 44.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 110.684 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.33 -165.02 0.61 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.777 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -65.2 -14.72 61.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.626 0.25 . . . . 0.0 111.396 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.9 m -62.32 -18.58 61.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.165 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.47 -78.86 0.6 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.688 0.28 . . . . 0.0 111.251 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.9 t -131.08 17.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.706 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 50.88 30.76 5.44 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -53.4 -40.19 64.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 m -59.04 -36.52 75.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.5 m -69.56 -51.57 34.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.673 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -56.03 -51.44 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.512 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -57.58 -39.5 76.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.198 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 t -58.02 -43.43 86.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.798 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.433 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -70.81 -48.76 52.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.869 0.366 . . . . 0.0 110.913 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.6 -48.67 48.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.051 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.436 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.5 p -105.83 12.05 31.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 mttt 57.28 22.01 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 111.305 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 99' ' ' THR . 58.6 m170 -86.85 96.34 10.18 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.411 ' HB3' ' HB2' ' A' ' 115' ' ' TYR . 19.3 m-85 -90.19 25.76 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.635 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.418 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 3.0 mm? -128.53 117.52 21.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 0.0 111.059 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.6 t -137.04 136.08 38.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.778 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.6 p -120.26 122.34 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.342 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.3 p30 -77.72 124.34 27.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.249 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.413 ' CD2' HD21 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.51 -21.24 61.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.954 -179.293 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m -78.43 -26.97 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.94 -9.41 10.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.605 0.241 . . . . 0.0 111.644 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.0 mt 59.11 30.76 20.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.302 . . . . 0.0 111.074 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -114.19 143.96 43.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.983 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.43 150.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.297 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -129.93 142.16 50.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 t -116.9 112.23 20.75 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.779 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.411 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 45.1 m-85 -69.36 -42.04 75.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.537 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.425 ' CB ' ' CE1' ' A' ' 41' ' ' HIS . . . -59.49 -52.47 65.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.071 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.5 m -69.05 -30.02 68.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.345 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.2 m 76.83 54.4 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.714 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.81 -179.89 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -92.88 137.78 32.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.42 162.56 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -119.29 137.62 53.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.68 148.11 22.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -102.3 135.75 43.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.85 -37.94 12.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? 58.06 36.25 25.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 70.2 mt -114.28 147.54 38.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -82.83 -89.07 0.7 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 28.3 m -163.14 -43.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.92 0.39 . . . . 0.0 111.047 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.859 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.827 0.346 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -103.01 147.65 26.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -91.27 -168.81 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.67 134.6 19.58 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.639 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.26 -44.91 3.12 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.816 2.344 . . . . 0.0 113.101 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 15.6 m80 -46.96 -55.24 8.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.41 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.457 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 3.9 pp -75.31 -34.1 61.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.031 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.23 -21.99 37.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.253 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m -85.61 -43.17 13.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.587 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.443 HG21 ' HA ' ' A' ' 42' ' ' LEU . 35.5 m -70.11 162.39 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 111.305 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.17 -130.69 6.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -140.53 165.53 27.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.9 tt -107.24 141.22 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.015 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.8 p -77.16 159.98 29.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 54' ' ' ILE . 3.7 tttp -60.0 -45.64 92.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.778 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -37.94 76.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.68 -41.02 88.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.464 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.84 -31.77 66.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 50' ' ' LYS . 10.6 mm -54.71 -46.88 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.868 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -40.43 89.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.481 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HG2' ' CG2' ' A' ' 82' ' ' VAL . 17.3 mttp -68.95 -32.3 71.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.984 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.3 p -71.68 -12.34 61.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.436 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.85 -19.05 62.18 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.715 0.293 . . . . 0.0 110.964 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.81 46.02 3.78 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.551 -0.833 . . . . 0.0 113.457 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 p -144.18 137.78 27.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.404 ' CB ' HG13 ' A' ' 66' ' ' VAL . 49.0 t -87.45 143.66 27.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.668 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -42.24 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.88 -53.09 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.22 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.3 p -127.2 -176.93 3.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.99 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -102.46 32.66 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.631 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.404 HG13 ' CB ' ' A' ' 61' ' ' CYS . 7.5 p -57.82 -31.75 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.351 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.98 159.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.36 -165.77 38.66 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -71.75 -161.74 2.13 Favored 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 123.478 -1.467 . . . . 0.0 112.255 0.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 60.8 59.92 2.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.591 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -109.44 151.27 26.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.1 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -126.15 145.84 50.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.97 141.02 51.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.09 133.03 55.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.659 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.07 -10.14 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.963 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.7 OUTLIER -53.89 142.79 23.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.826 0.346 . . . . 0.0 110.935 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -69.26 -43.38 74.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -80.86 -22.52 39.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.182 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.0 OUTLIER -101.15 150.03 23.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.928 0.394 . . . . 0.0 111.224 -179.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.8 m -150.54 43.93 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.394 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -87.29 148.56 25.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.292 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.403 ' CG2' ' HG2' ' A' ' 56' ' ' LYS . 2.7 t -108.93 122.3 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.68 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.88 164.05 24.45 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.796 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.6 p -103.38 139.18 39.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.699 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.69 -175.74 4.68 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.857 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.95 -20.31 56.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.711 0.291 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.9 m -62.28 -20.18 64.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.057 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -118.36 -67.96 0.95 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.1 t -145.32 16.29 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.589 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.5 t0 48.13 28.3 1.48 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.959 0.409 . . . . 0.0 111.193 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.83 -38.01 64.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.759 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.9 t -58.72 -37.7 76.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.0 m -71.04 -49.31 46.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.637 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -57.36 -51.46 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.924 0.392 . . . . 0.0 110.331 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -58.88 -37.91 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.076 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t -57.91 -43.25 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.765 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.43 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.58 -48.78 53.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.912 0.387 . . . . 0.0 110.936 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.69 -48.66 39.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.043 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.437 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.5 p -107.18 11.83 29.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 mttm 58.12 22.11 8.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.616 0.246 . . . . 0.0 111.355 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 99' ' ' THR . 53.3 m170 -86.73 96.41 10.15 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -92.02 26.2 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.823 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.457 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 4.6 mm? -129.89 119.5 23.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.944 0.402 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -138.97 141.42 38.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.8 p -120.22 119.11 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.92 0.39 . . . . 0.0 111.203 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -73.17 121.29 20.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.729 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.18 -9.95 59.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.678 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -33.53 29.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.632 0.253 . . . . 0.0 111.485 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.03 -4.89 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.69 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 mt 59.9 34.46 21.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.769 0.318 . . . . 0.0 110.954 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -114.11 151.69 32.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.9 t -102.75 150.14 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -132.79 139.74 47.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.417 . . . . 0.0 111.305 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 15.6 t -112.85 111.64 22.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.442 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -69.25 -41.99 76.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.656 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.431 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -59.63 -52.63 64.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 110.951 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.7 m -69.13 -30.06 68.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.46 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 p 76.88 46.51 0.08 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.584 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.94 -178.47 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.93 138.7 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.27 165.2 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -119.59 123.91 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.56 151.64 22.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -133.66 156.84 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -70.78 -26.28 63.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 28.1 mttm 61.78 35.31 16.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.8 mt -112.95 -178.36 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 116.41 -45.17 1.32 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.4 -67.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.929 0.395 . . . . 0.0 110.965 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.891 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 mtp85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.822 0.344 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.92 -53.81 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -178.47 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.13 132.51 24.33 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.278 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' O ' ' OD2' ' A' ' 43' ' ' ASP . 58.1 Cg_endo -71.05 -26.06 22.0 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.026 2.484 . . . . 0.0 113.796 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.453 ' CE1' ' CB ' ' A' ' 116' ' ' ALA . 16.0 m80 -67.81 -53.56 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.669 0.271 . . . . 0.0 111.543 -179.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 3.7 pp -78.52 -37.55 42.74 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 40' ' ' PRO . 8.5 p-10 -59.36 -21.58 60.05 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.426 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.6 m -83.61 -43.19 15.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.722 0.296 . . . . 0.0 111.411 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.455 HG23 ' HA ' ' A' ' 42' ' ' LEU . 35.5 m -68.82 139.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.239 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.59 -136.59 0.9 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -140.53 160.38 40.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.413 ' CG2' ' CB ' ' A' ' 52' ' ' ASP . 27.7 mt -106.77 149.14 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.7 p -76.87 160.12 29.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -40.4 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.86 -38.32 78.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.413 ' CB ' ' CG2' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -72.39 -43.31 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.9 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.05 -31.89 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.1 mt -56.16 -46.66 81.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -41.49 97.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.93 0.395 . . . . 0.0 110.418 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -69.06 -32.19 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.847 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.8 p -71.44 -12.51 61.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.362 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.5 mt -61.88 -19.04 62.22 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.651 0.263 . . . . 0.0 110.928 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 67' ' ' GLN . . . 87.91 51.57 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.594 -0.813 . . . . 0.0 113.424 178.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.417 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -144.19 138.43 28.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.063 179.384 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.4 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 12.2 t -87.03 135.13 33.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -4.71 45.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.539 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -109.0 -53.13 2.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.705 0.288 . . . . 0.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.14 -171.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.962 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -110.55 65.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.267 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.402 ' CG1' ' NE2' ' A' ' 88' ' ' GLN . 27.5 m -113.72 122.3 67.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.637 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 59' ' ' GLY . 4.0 pt20 -95.74 105.84 17.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.869 0.366 . . . . 0.0 111.338 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 49.63 -177.77 0.02 OUTLIER Glycine 0 CA--C 1.52 0.373 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.983 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -91.5 -73.89 0.0 OUTLIER 'Cis proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.729 -1.363 . . . . 0.0 112.469 0.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.55 94.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.065 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' A' ' 60' ' ' THR . 5.1 mt -106.31 146.43 30.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.718 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.458 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 16.0 m95 -115.15 148.1 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.37 141.74 48.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.8 t -56.01 132.2 49.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 103' ' ' LEU . 8.0 tp -83.15 -19.86 35.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.844 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -53.29 128.31 27.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -60.78 -40.76 93.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.253 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 mmm-85 -77.91 -17.06 57.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.518 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.4 t -108.41 125.7 52.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.914 0.388 . . . . 0.0 111.289 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.4 p -126.11 70.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -118.39 148.6 42.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.371 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.6 t -108.21 129.71 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.621 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -139.41 162.6 26.11 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.868 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 21.2 p -103.45 144.69 31.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.588 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.64 -158.13 17.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.86 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.28 -18.57 50.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.654 0.264 . . . . 0.0 111.346 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -18.2 60.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.232 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.402 ' NE2' ' CG1' ' A' ' 66' ' ' VAL . 14.7 mm100 -126.28 -78.82 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.651 0.262 . . . . 0.0 111.181 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.0 t -143.16 17.26 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.74 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.81 37.43 24.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.601 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 m -61.98 -36.36 81.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.394 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.4 m -70.93 -47.52 58.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.415 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.5 mt -58.1 -49.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.183 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -59.96 -38.12 81.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.932 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -58.08 -43.29 86.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.604 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.434 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -68.01 -48.58 65.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.795 0.331 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -50.57 -48.71 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.902 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.465 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 58.5 p -107.42 17.18 23.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.617 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 51.3 22.39 1.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 99' ' ' THR . 63.9 m170 -82.63 96.2 8.03 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.403 ' HB3' ' HB2' ' A' ' 115' ' ' TYR . 35.7 m-85 -87.95 12.79 12.36 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 4.6 mm? -114.1 118.88 35.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.024 0.44 . . . . 0.0 111.22 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.3 t -139.11 132.47 30.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.845 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.9 p -120.41 123.24 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.242 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.1 p30 -76.45 122.66 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.394 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.55 -17.05 61.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.817 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.4 m -82.22 -31.52 30.24 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.649 0.241 . . . . 0.0 111.649 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -12.87 13.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.666 0.27 . . . . 0.0 111.554 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.2 mt 62.75 30.55 16.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.282 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -114.28 139.08 49.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.931 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.2 t -94.42 150.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.41 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 73.7 t-105 -131.98 141.84 49.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.434 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.5 t -115.17 110.12 19.02 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 20.5 m-85 -69.16 -42.11 76.35 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.641 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.453 ' CB ' ' CE1' ' A' ' 41' ' ' HIS . . . -60.48 -52.66 64.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.948 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.8 m -69.96 -30.21 67.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.406 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.85 52.75 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.639 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.41 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -174.13 173.29 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.022 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -88.91 136.37 33.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.1 m -127.61 177.56 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -123.5 155.54 37.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.63 131.49 55.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.751 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.6 119.3 36.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -100.28 -31.6 11.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -79.87 76.51 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.36 161.71 14.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.962 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -174.05 34.27 0.11 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.544 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.86 -33.18 6.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.789 0.328 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -72.78 -55.9 6.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.438 ' CE1' ' CD1' ' A' ' 42' ' ' LEU . 6.5 t-160 -130.22 154.26 47.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 132.9 95.29 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.634 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.84 -43.81 2.38 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.774 2.316 . . . . 0.0 113.102 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.43 ' CE1' ' CB ' ' A' ' 116' ' ' ALA . 16.8 m80 -47.12 -55.23 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.357 -179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.438 ' CD1' ' CE1' ' A' ' 38' ' ' HIS . 4.2 pp -75.37 -37.06 60.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.957 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -54.77 -22.07 13.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.374 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.2 m -83.09 -43.07 16.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.268 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 m -60.05 167.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.299 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -104.46 -122.71 5.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -140.57 155.45 46.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 tt -109.86 138.99 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.9 p -83.98 159.84 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.044 0.449 . . . . 0.0 111.307 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -63.61 -33.1 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.816 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -58.89 -43.2 90.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.778 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.43 -46.48 54.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.784 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.15 -31.88 72.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.325 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.407 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 2.7 tt -55.2 -42.26 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 111.109 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -68.62 -42.91 77.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.645 179.766 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -68.05 -32.2 72.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.916 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.5 p -71.86 -12.78 61.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.469 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.19 -19.1 62.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.654 0.264 . . . . 0.0 110.969 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.17 45.2 4.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.709 -0.758 . . . . 0.0 113.07 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -144.4 138.71 27.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.902 0.382 . . . . 0.0 111.006 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.6 t -86.89 143.05 27.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -37.62 53.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.3 -53.08 13.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.4 p -120.61 178.56 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.943 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.17 98.01 7.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.4 ' CG1' ' NE2' ' A' ' 88' ' ' GLN . 28.2 m -126.72 -179.33 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -123.75 113.49 18.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.66 -147.12 0.02 OUTLIER Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.627 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 71' ' ' LEU . 55.4 Cg_endo -69.38 -32.42 3.83 Favored 'Cis proline' 0 C--N 1.347 0.487 0 C-N-CA 123.342 -1.524 . . . . 0.0 112.259 0.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.5 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 64.4 m-20 -43.92 91.79 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.392 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 69' ' ' PRO . 5.2 mt -153.15 148.08 26.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.06 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.421 ' CE3' HG22 ' A' ' 104' ' ' THR . 18.0 m95 -107.05 162.26 14.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.08 142.28 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 t -57.1 131.71 50.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.722 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.6 tp -83.55 -14.57 51.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.873 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 6.9 tp10 -54.77 138.61 41.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.818 0.342 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -66.75 -42.67 85.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -24.17 41.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.159 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.433 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -101.05 122.8 44.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.36 . . . . 0.0 111.158 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.6 m -125.04 51.68 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.395 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -96.0 148.62 22.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.327 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 t -105.61 128.65 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.822 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.77 159.41 26.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.719 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.9 p -103.39 143.08 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.78 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.52 -167.7 14.05 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.921 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.87 -19.78 45.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.668 0.27 . . . . 0.0 111.41 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.26 -18.22 60.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.168 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.4 ' NE2' ' CG1' ' A' ' 66' ' ' VAL . 2.7 mm100 -123.21 -73.18 0.65 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.7 t -143.18 15.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.728 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t0 50.76 32.45 7.09 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.911 0.386 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -54.78 -37.36 65.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.788 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.4 m -58.97 -36.59 75.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.595 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.9 m -72.12 -48.84 40.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.518 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.29 -50.85 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.994 0.425 . . . . 0.0 110.276 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -60.4 -36.26 77.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.963 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -59.21 -42.46 91.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.421 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.64 -48.7 53.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -49.48 -48.65 47.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.978 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.438 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.2 p -106.98 12.76 28.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.59 22.19 6.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.661 0.267 . . . . 0.0 111.375 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.8 m170 -86.74 96.33 10.13 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -92.15 26.07 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.453 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 103' ' ' LEU . 2.8 mm? -125.39 117.01 22.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.939 0.4 . . . . 0.0 110.784 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.421 HG22 ' CE3' ' A' ' 72' ' ' TRP . 4.6 t -137.62 134.59 35.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.8 p -120.15 126.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.948 0.404 . . . . 0.0 111.259 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.418 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 9.2 p30 -78.99 123.17 27.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.361 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.53 -17.44 61.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.824 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.5 ' OG1' ' HA ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -82.18 -27.51 32.58 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.202 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.36 -10.47 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.7 mt 60.97 29.87 19.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -114.28 136.68 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.4 t -93.3 150.18 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.425 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 56.5 t-105 -132.1 145.41 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.014 0.435 . . . . 0.0 111.369 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 24.9 t -116.71 113.05 22.08 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.544 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -69.27 -42.21 75.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.757 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.43 ' CB ' ' CE1' ' A' ' 41' ' ' HIS . . . -60.15 -52.59 64.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.991 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.1 m -69.76 -30.24 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.537 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.5 m 75.85 53.12 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.629 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.425 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.31 173.75 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.072 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -86.24 139.32 31.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.7 m -136.18 -179.34 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -123.56 145.61 48.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.7 tp -86.86 153.57 21.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -82.47 132.4 35.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.981 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -25.82 36.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.1 156.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 mt 61.12 157.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 90.08 -50.85 3.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.544 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.0 m -62.02 -33.65 74.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.911 0.386 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.916 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.825 0.345 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.1 t30 60.68 95.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -112.51 161.57 16.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 135.79 94.6 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.535 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.65 -45.07 2.56 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.737 2.291 . . . . 0.0 113.059 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 19.4 m80 -46.48 -55.26 7.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.448 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' HA ' HG23 ' A' ' 45' ' ' VAL . 4.0 pp -74.35 -37.32 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.829 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -57.66 -21.84 42.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.406 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.3 -43.05 15.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.431 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.426 HG23 ' HA ' ' A' ' 42' ' ' LEU . 30.9 m -69.22 -178.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.327 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.32 -159.2 10.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.457 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -115.25 148.02 39.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.782 0.325 . . . . 0.0 110.955 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.0 mt -95.06 148.64 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -77.22 160.02 29.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.65 -31.57 71.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -60.64 -44.82 95.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.43 -45.3 60.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.098 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.33 -31.72 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.365 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 0.9 OUTLIER -53.53 -42.44 49.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -68.62 -41.82 78.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.64 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -69.02 -32.24 71.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.089 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.5 p -73.75 -12.57 60.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.429 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.9 mt -62.28 -19.06 62.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.623 0.249 . . . . 0.0 110.989 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.24 45.34 4.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.987 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 78.8 p -144.05 138.5 28.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.953 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.4 t -86.88 137.72 32.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.769 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -76.37 -28.5 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.11 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.95 -52.97 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.7 p -124.4 -166.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.762 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -122.65 63.57 0.97 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.96 0.41 . . . . 0.0 110.741 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 m -89.07 -19.68 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.397 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 66.22 159.78 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.816 0.341 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.91 -150.0 10.25 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.552 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.96 -52.67 0.15 OUTLIER 'Cis proline' 0 C--N 1.346 0.431 0 C-N-CA 123.173 -1.595 . . . . 0.0 112.391 0.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 7.8 m-80 -43.72 110.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.408 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 60' ' ' THR . 5.2 mt -149.92 141.91 23.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.43 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 25.2 m95 -110.94 150.93 28.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -135.13 140.33 45.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.2 t -55.63 135.61 51.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.8 tp -86.22 -20.27 28.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.544 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.45 126.73 22.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.859 0.362 . . . . 0.0 110.994 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -62.11 -35.15 77.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -79.56 -26.17 41.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.1 150.05 21.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.117 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 p -144.23 53.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.353 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -97.58 146.65 25.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.424 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.56 114.95 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.614 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -132.33 164.71 23.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.943 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.5 p -103.45 139.19 39.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.982 0.42 . . . . 0.0 110.648 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.61 -169.35 0.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.941 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -65.01 -19.08 65.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.633 0.254 . . . . 0.0 111.298 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -18.6 62.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.166 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.17 -70.97 0.76 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.709 0.29 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.8 t -143.03 18.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.636 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.45 28.61 4.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.772 0.32 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -41.6 66.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 m -59.21 -35.4 73.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 58.8 m -70.51 -52.55 21.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.01 -51.23 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -57.19 -39.99 76.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.035 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.7 t -58.01 -42.75 85.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.673 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.424 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.56 -49.03 52.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.381 . . . . 0.0 110.946 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.46 -48.59 47.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.001 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.456 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.8 p -107.8 13.67 26.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.711 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 55.51 22.32 5.03 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.639 0.257 . . . . 0.0 111.516 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.7 m170 -85.74 96.17 9.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -88.72 16.31 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.742 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 2.7 mm? -117.91 117.35 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 111.027 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.5 t -135.95 134.37 38.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.787 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.9 p -120.21 123.02 69.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.942 0.401 . . . . 0.0 111.218 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.43 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.7 p30 -79.21 121.87 25.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.49 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.33 -11.52 60.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.559 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -82.1 -32.22 30.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.464 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.33 -9.37 11.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.601 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.0 mt 62.0 32.9 17.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.941 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -114.14 154.4 27.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.952 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.34 150.11 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -130.38 140.88 50.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.5 t -117.48 110.59 18.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.831 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -69.36 -41.15 76.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.46 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.427 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -59.71 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 m -69.53 -29.99 67.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.301 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.66 53.9 0.06 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.29 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.96 176.26 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.034 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -87.87 136.12 33.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.792 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.7 m -122.47 166.54 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.26 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -116.66 148.68 40.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.7 140.27 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.45 154.76 38.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.82 -28.12 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm 60.91 91.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 39.4 mt -98.41 30.14 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -109.81 45.88 1.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.02 -81.07 0.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.832 0.349 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.814 0.34 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -125.51 -68.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.414 ' CE1' HD12 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -71.3 -167.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.48 136.6 19.16 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.12 -44.6 3.59 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.707 2.271 . . . . 0.0 113.099 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.441 ' CE1' ' CB ' ' A' ' 116' ' ' ALA . 19.2 m80 -47.49 -55.17 9.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.343 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' HA ' ' HG ' ' A' ' 103' ' ' LEU . 4.1 pp -73.57 -34.2 65.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.741 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.95 -21.82 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.256 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.21 -43.22 13.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.716 0.293 . . . . 0.0 111.41 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 42' ' ' LEU . 34.1 m -71.7 159.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.141 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.21 -135.15 8.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.404 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -140.42 153.96 46.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.425 ' CG2' ' CB ' ' A' ' 52' ' ' ASP . 25.8 mt -92.13 149.16 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.2 p -76.81 159.98 29.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -59.16 -44.1 92.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -33.93 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.245 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' CB ' ' CG2' ' A' ' 48' ' ' ILE . 1.0 OUTLIER -72.36 -49.71 32.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.739 0.305 . . . . 0.0 110.85 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.7 mt -62.35 -31.91 72.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.3 mm -56.16 -44.89 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 16.2 mt-30 -68.6 -39.81 80.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.567 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -67.63 -32.11 72.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.795 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.0 p -69.57 -12.81 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.648 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 3.1 mt -62.05 -19.16 62.61 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.905 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.94 49.25 3.86 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.747 -0.739 . . . . 0.0 113.277 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -144.43 138.57 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 0.0 110.977 179.508 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.2 t -86.9 138.53 31.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.788 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -28.05 54.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' HB3' ' CE1' ' A' ' 91' ' ' HIS . 17.1 t0 -81.22 -53.06 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.225 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.9 p -119.03 -174.66 2.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.03 43.59 1.05 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.42 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.2 t -91.73 126.72 44.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.738 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.19 141.82 28.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.37 -139.82 0.01 OUTLIER Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.88 -44.32 0.3 Allowed 'Cis proline' 0 C--N 1.349 0.592 0 C-N-CA 123.493 -1.461 . . . . 0.0 112.406 0.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -48.86 94.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.238 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.409 ' CD1' ' N ' ' A' ' 60' ' ' THR . 4.9 mt -142.97 145.85 33.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 15.7 m95 -111.2 161.32 16.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.136 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.07 139.2 30.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.0 t -55.24 135.15 49.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.762 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 tp -89.85 -10.38 45.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.894 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.41 142.78 31.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -67.3 -45.36 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.212 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -20.78 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.1 t -103.11 128.94 49.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.979 0.419 . . . . 0.0 111.254 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -129.05 41.72 3.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.352 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.98 148.55 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.335 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 t -109.15 120.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.777 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -129.33 159.76 22.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.778 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.4 p -103.18 138.6 39.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.333 . . . . 0.0 110.774 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.79 -177.05 4.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.917 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.44 -19.04 54.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -19.16 62.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.979 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -120.37 -70.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.4 t -141.44 14.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.691 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t0 47.51 29.5 1.41 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.918 0.389 . . . . 0.0 111.175 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 63' ' ' ASP . 0.9 OUTLIER -55.47 -35.3 65.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.62 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -59.77 -37.73 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.39 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.5 m -71.12 -50.31 34.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.604 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.54 -50.72 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.361 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -58.72 -38.39 78.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.111 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 t -58.42 -43.51 88.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.728 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.428 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.52 -48.69 54.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.836 0.351 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -49.16 -48.65 44.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.139 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 41.6 p -107.87 14.71 25.14 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 55.42 22.16 4.79 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.8 m170 -85.91 96.23 9.73 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -91.9 31.21 1.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.58 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.437 ' HG ' ' HA ' ' A' ' 42' ' ' LEU . 3.4 mm? -133.14 117.78 17.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.0 t -138.27 136.68 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.8 p -120.22 126.12 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.319 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 2.1 p30 -80.07 123.02 27.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.437 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -17.96 61.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.834 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -27.06 33.25 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.07 -5.37 10.51 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.7 mt 56.73 32.32 20.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.807 0.337 . . . . 0.0 111.077 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -114.16 147.42 38.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.5 t -105.05 150.07 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.403 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 60.2 t-105 -131.64 142.62 49.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.967 0.413 . . . . 0.0 111.445 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 16.8 t -114.88 112.67 23.1 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.452 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -69.46 -42.06 75.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.667 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.441 ' CB ' ' CE1' ' A' ' 41' ' ' HIS . . . -59.97 -52.72 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.411 . . . . 0.0 110.901 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.8 m -68.97 -30.09 68.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.236 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 m 75.01 54.41 0.07 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.732 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.403 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.36 -179.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.214 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.75 147.65 25.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.79 165.78 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -123.51 149.54 45.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.06 131.23 43.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.51 -47.0 71.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -60.02 -31.33 69.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -106.42 78.74 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 30.6 mt 60.13 91.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -155.0 62.48 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.443 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.2 p -104.46 -34.33 8.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.882 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.744 0.307 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -70.54 124.51 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -132.61 -171.9 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.37 132.88 20.53 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.678 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.51 -44.42 4.57 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.823 2.349 . . . . 0.0 113.103 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' A' ' 116' ' ' ALA . 21.2 m80 -46.43 -55.19 7.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.461 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HA ' HG23 ' A' ' 45' ' ' VAL . 3.9 pp -74.15 -36.45 64.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.05 -21.96 47.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.358 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -83.75 -43.18 15.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.385 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.443 HG23 ' HA ' ' A' ' 42' ' ' LEU . 27.4 m -71.69 172.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.302 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.39 -139.38 7.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.5 164.7 29.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.349 . . . . 0.0 110.948 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.3 mt -112.93 150.77 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.051 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.4 p -76.82 160.05 29.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -63.11 -29.15 70.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -66.09 -41.78 90.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -45.52 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.012 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.7 mt -63.44 -31.86 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.252 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.409 ' CG2' ' N ' ' A' ' 55' ' ' GLN . 2.3 tt -54.23 -42.17 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.129 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.409 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -68.53 -44.66 74.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.58 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 50.9 mttt -66.47 -32.29 73.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.157 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.9 p -72.83 -12.61 61.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.438 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.6 mt -62.12 -19.13 62.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.65 0.262 . . . . 0.0 111.037 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.83 50.49 2.29 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.09 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.406 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 34.0 p -144.17 138.33 28.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -87.02 140.75 29.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -24.92 52.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.32 -52.96 4.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -116.01 -168.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.985 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -116.89 91.16 3.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.35 122.01 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -65.7 134.33 52.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.039 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.52 -139.36 2.74 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.426 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.64 -27.54 7.19 Favored 'Cis proline' 0 C--N 1.348 0.532 0 C-N-CA 123.472 -1.47 . . . . 0.0 112.392 0.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -45.88 95.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.342 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.406 ' CD1' ' N ' ' A' ' 60' ' ' THR . 13.8 mt -152.35 146.18 25.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.025 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 13.1 m95 -109.37 151.42 26.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -129.29 138.51 51.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.982 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -58.58 125.2 22.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.747 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 tp -80.02 -16.36 55.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.648 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.39 117.13 2.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.759 0.314 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -55.94 -37.06 68.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -76.67 -21.98 54.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 t -101.94 150.12 23.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 111.099 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.06 68.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.42 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -127.96 148.58 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.29 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.0 t -111.84 129.28 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.844 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.38 165.75 24.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.76 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.0 p -103.39 142.01 34.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.828 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.63 -171.96 11.09 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.865 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -20.17 46.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.671 0.272 . . . . 0.0 111.36 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -62.12 -18.81 61.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -68.1 0.92 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.8 t -147.68 17.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.764 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t0 47.26 31.03 1.61 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.842 0.354 . . . . 0.0 111.18 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -54.39 -37.71 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.744 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.547 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.8 m -71.05 -49.92 39.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.584 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -57.8 -50.33 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.386 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -58.87 -38.85 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.059 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 t -58.05 -43.67 87.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.41 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.6 -48.76 53.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.846 0.355 . . . . 0.0 111.031 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -49.71 -48.71 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.106 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.447 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 45.6 p -105.07 11.36 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt 57.94 22.08 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.643 0.258 . . . . 0.0 111.325 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 99' ' ' THR . 55.2 m170 -87.25 96.21 10.25 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -87.24 10.71 16.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.924 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.405 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 2.9 mm? -109.79 117.09 32.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.397 . . . . 0.0 110.932 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.6 t -137.55 129.99 29.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.663 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.9 p -120.36 120.52 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 111.572 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 5.5 p30 -71.64 120.07 16.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.306 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.32 -14.93 61.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.718 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -82.0 -28.78 32.4 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.93 -8.21 10.29 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 mt 61.44 32.7 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.345 . . . . 0.0 110.708 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -113.96 135.66 53.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.4 t -94.46 150.15 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.274 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 66.9 t-105 -132.36 143.21 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.0 t -117.72 111.42 19.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.724 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -69.22 -42.12 76.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.596 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . . . -59.16 -52.53 65.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.956 0.408 . . . . 0.0 110.826 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.19 -30.21 68.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.337 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.02 51.14 0.06 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.622 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.418 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -173.59 174.27 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.037 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -86.16 145.94 26.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.59 174.43 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.247 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -123.56 122.02 37.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 31.0 tp -77.75 154.53 31.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.05 161.9 35.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.19 -32.71 13.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -141.73 135.27 29.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.3 mt -89.13 -32.36 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -106.68 53.3 0.63 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 12.2 m -71.61 -31.63 67.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.907 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.704 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -67.97 -46.14 2.58 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.896 2.397 . . . . 0.0 113.093 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 17.0 m80 -45.47 -54.82 6.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.513 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.709 ' HB3' HD11 ' A' ' 103' ' ' LEU . 4.0 pp -74.06 -38.38 63.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.456 ' N ' HD12 ' A' ' 42' ' ' LEU . 58.3 t0 -57.29 -21.79 37.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.431 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.8 p -81.45 -43.05 19.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.797 0.332 . . . . 0.0 111.214 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.612 HG21 HD23 ' A' ' 75' ' ' LEU . 27.5 m -72.03 158.49 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.18 -133.42 8.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -140.58 152.97 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.44 HD11 ' O ' ' A' ' 74' ' ' CYS . 32.7 mt -103.36 148.81 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.8 p -76.93 160.06 29.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -61.04 -32.42 72.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.77 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 54' ' ' ILE . 18.0 mp0 -59.58 -45.45 91.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.43 -40.34 67.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.079 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.652 HD23 ' HE2' ' A' ' 56' ' ' LYS . 20.1 mt -68.44 -31.9 71.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.254 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.6 tp -54.68 -42.5 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.841 0.353 . . . . 0.0 111.221 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 1.3 mm-40 -68.44 -43.97 75.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.741 ' CD ' HG22 ' A' ' 82' ' ' VAL . 1.8 mtmm -67.29 -32.34 73.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.076 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.5 p -73.29 -12.59 60.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.434 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.2 mt -62.24 -19.08 62.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.636 0.255 . . . . 0.0 111.105 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.66 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 91.02 48.9 3.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.024 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.408 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 61.0 p -144.05 138.51 28.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.342 . . . . 0.0 110.954 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.7 t -86.83 136.3 33.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.777 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.558 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -75.23 -17.88 60.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.91 -50.86 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 111.14 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.7 p -122.26 -168.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.0 mttt . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.807 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.66 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.2 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.953 0.406 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 24.7 m95 -116.18 157.24 25.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.243 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB1' ' HD2' ' A' ' 56' ' ' LYS . . . -142.37 138.97 31.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.056 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.44 ' O ' HD11 ' A' ' 48' ' ' ILE . 14.4 t -57.27 128.53 37.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.612 HD23 HG21 ' A' ' 45' ' ' VAL . 5.8 tp -82.7 -17.95 42.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.511 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 112.36 0.9 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -51.7 -32.81 31.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.213 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -80.09 -22.4 42.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.3 t -103.62 149.97 24.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 111.227 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 m -142.02 64.61 1.39 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.594 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.52 148.55 37.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.225 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.741 HG22 ' CD ' ' A' ' 56' ' ' LYS . 21.4 t -114.22 118.9 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.802 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.26 161.18 24.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.795 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 p -103.41 146.79 27.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.303 . . . . 0.0 110.649 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -172.12 25.67 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.128 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -21.12 21.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.709 0.29 . . . . 0.0 111.432 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.4 m -62.2 -17.53 58.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.177 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.74 -72.32 0.66 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 89' ' ' VAL . 15.5 t -141.58 12.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 t0 48.73 30.79 2.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -55.38 -35.67 65.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t -60.53 -36.99 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.508 HG22 ' OE1' ' A' ' 97' ' ' GLN . 87.2 m -70.71 -49.42 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.425 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.9 mt -58.17 -50.94 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.301 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -58.95 -37.3 76.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.133 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 t -59.21 -44.17 92.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.775 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.508 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.56 -48.83 53.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.88 0.371 . . . . 0.0 110.92 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.16 -48.64 53.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.112 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.44 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 42.2 p -104.85 11.85 33.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.8 mttp 57.17 22.02 7.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.635 0.255 . . . . 0.0 111.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.6 m170 -87.79 96.36 10.43 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.728 ' C ' HD22 ' A' ' 103' ' ' LEU . 30.1 m-85 -89.96 22.12 3.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.806 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.2 mm? -121.21 117.23 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.933 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 t -138.15 133.11 32.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.501 HG23 ' C ' ' A' ' 111' ' ' ARG . 14.5 p -120.15 125.44 74.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.281 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.455 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.3 p30 -78.44 123.51 27.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.16 -9.0 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.576 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.99 -40.95 52.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.769 0.319 . . . . 0.0 111.44 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.08 -4.77 10.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.626 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 mt 62.58 40.58 10.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.501 ' C ' HG23 ' A' ' 105' ' ' VAL . 12.7 mmt180 -114.02 142.64 45.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.744 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.1 t -95.49 150.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -133.25 140.45 47.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.9 t -114.33 111.76 22.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -69.27 -42.07 76.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.427 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.443 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.94 -52.42 65.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.936 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.88 -30.04 68.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.371 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.9 p 76.92 46.84 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.779 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.58 178.58 4.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.47 136.58 32.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.31 170.87 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 31.9 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.002 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 110.539 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.6 -45.08 2.6 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.794 2.329 . . . . 0.0 113.161 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 15.6 m80 -46.55 -55.17 7.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.368 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.742 ' HB3' HD11 ' A' ' 103' ' ' LEU . 4.0 pp -75.03 -35.44 61.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.909 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -58.64 -21.99 55.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -84.53 -43.18 14.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 111.315 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.778 HG21 HD23 ' A' ' 75' ' ' LEU . 31.4 m -75.33 143.68 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 111.2 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -83.8 -129.52 1.67 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.436 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -139.97 164.56 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.844 HD11 ' O ' ' A' ' 74' ' ' CYS . 32.7 mt -105.18 150.69 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.9 p -80.06 160.06 25.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.716 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -58.59 -42.33 87.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.955 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.638 ' HA ' HD12 ' A' ' 54' ' ' ILE . 3.6 tt0 -58.83 -36.56 74.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.455 ' HB2' HG22 ' A' ' 48' ' ' ILE . 5.3 m-20 -72.34 -41.56 66.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.0 mt -71.67 -31.96 67.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 51' ' ' GLU . 27.4 mt -58.35 -46.85 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.825 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -63.84 -40.79 97.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.999 0.428 . . . . 0.0 110.515 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.782 ' HG2' HG22 ' A' ' 82' ' ' VAL . 5.6 mttp -69.05 -32.22 71.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.96 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -72.16 -12.42 61.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.61 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.19 -19.09 62.75 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.987 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.501 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 90.47 47.88 3.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.626 -0.797 . . . . 0.0 113.303 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.6 p -144.21 138.22 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.9 t -87.33 142.57 27.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.576 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.13 -41.75 40.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.47 -53.2 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.1 p -116.08 172.17 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 tttt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.501 HD12 ' HA2' ' A' ' 59' ' ' GLY . 8.6 mt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.011 0.434 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.496 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.2 m95 -112.28 147.25 36.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.638 ' HB1' ' HE2' ' A' ' 56' ' ' LYS . . . -128.74 144.43 51.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.01 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.844 ' O ' HD11 ' A' ' 48' ' ' ILE . 27.6 t -56.38 134.21 53.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.778 HD23 HG21 ' A' ' 45' ' ' VAL . 4.6 tp -84.82 -18.25 35.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.727 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.541 ' HG2' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -53.39 128.18 27.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.9 0.381 . . . . 0.0 110.994 -179.827 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -63.1 -37.06 85.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.42 -22.39 41.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.181 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.7 147.77 25.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.915 0.388 . . . . 0.0 111.058 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.47 64.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.422 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -110.8 148.53 32.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.341 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.782 HG22 ' HG2' ' A' ' 56' ' ' LYS . 3.4 t -109.08 129.66 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.832 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.99 161.51 27.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.781 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 p -103.52 142.88 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.662 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.09 -169.96 8.02 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.936 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.64 -19.78 51.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 111.368 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 t -62.2 -18.45 61.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.111 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -121.67 -70.29 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.986 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 89' ' ' VAL . 10.5 t -148.02 18.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.665 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 t0 47.53 32.01 2.23 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.938 0.399 . . . . 0.0 111.234 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.3 -35.18 62.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.4 t -58.65 -39.71 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.363 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.601 HG22 ' OE1' ' A' ' 97' ' ' GLN . 89.9 m -70.33 -45.44 66.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.2 mt -57.92 -51.02 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.039 0.447 . . . . 0.0 110.251 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -59.54 -37.72 79.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 t -57.99 -42.63 85.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.633 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.601 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.61 -48.82 53.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.847 0.356 . . . . 0.0 110.959 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -49.12 -48.68 44.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.119 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.469 ' HG1' ' CE1' ' A' ' 101' ' ' HIS . 47.3 p -106.57 11.79 30.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt 57.71 22.12 8.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.602 0.239 . . . . 0.0 111.274 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.469 ' CE1' ' HG1' ' A' ' 99' ' ' THR . 55.9 m170 -86.85 96.32 10.17 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.706 ' C ' HD22 ' A' ' 103' ' ' LEU . 32.7 m-85 -88.19 22.75 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.1 mm? -124.6 117.5 24.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -135.06 133.33 39.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.835 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 111' ' ' ARG . 12.2 p -120.44 120.02 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.357 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 3.2 p30 -74.73 121.19 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.484 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.22 -13.57 61.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.505 -179.78 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -32.02 30.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.603 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.402 ' HB ' ' HG2' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -114.17 -9.45 12.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.524 -179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 110' ' ' LEU . 20.1 mt 62.85 30.77 16.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.194 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.502 ' O ' HG23 ' A' ' 105' ' ' VAL . 17.0 mmt180 -114.15 153.34 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.829 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.47 150.06 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 65.0 t-105 -130.62 141.0 50.43 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.974 0.416 . . . . 0.0 111.384 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 15.7 t -112.48 110.0 19.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.413 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 10.1 m-85 -69.22 -40.64 77.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.573 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.486 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.07 -52.64 64.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.942 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.9 m -70.24 -30.13 67.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.46 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.61 49.01 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.656 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.57 164.06 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.936 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -72.73 144.79 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.6 m -136.14 159.32 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.192 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 27.8 p90 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 49.3 Cg_endo -68.58 -46.11 2.07 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.846 2.364 . . . . 0.0 113.226 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 12.1 m80 -45.65 -55.18 6.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.497 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.824 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.8 pp -77.25 -32.83 55.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.472 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 1.6 m-20 -57.03 -21.8 33.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.182 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.42 -43.18 14.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.322 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.524 HG21 HD23 ' A' ' 75' ' ' LEU . 26.8 m -74.1 136.45 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 111.206 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.49 -120.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.438 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -140.55 153.35 46.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.534 HD13 ' CD2' ' A' ' 53' ' ' LEU . 20.2 tt -102.0 149.06 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -92.69 160.01 15.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -62.91 -29.32 70.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.45 ' O ' HG22 ' A' ' 54' ' ' ILE . 31.2 tt0 -61.06 -46.9 88.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.7 -37.39 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' CD2' HD13 ' A' ' 48' ' ' ILE . 53.2 mt -69.78 -31.85 70.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.305 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.8 tp -54.85 -43.59 68.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 111.274 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.427 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 4.2 mt-30 -68.43 -43.19 77.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.663 ' HD3' HG22 ' A' ' 82' ' ' VAL . 1.8 mttt -69.13 -32.27 71.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.157 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 p -75.62 -12.46 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.717 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 55' ' ' GLN . 20.2 mt -61.91 -18.74 61.31 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.139 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.788 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 91.94 45.0 4.01 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.976 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.621 ' O ' HG11 ' A' ' 82' ' ' VAL . 17.1 p -144.14 138.44 28.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.9 t -86.88 138.09 31.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.974 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.1 -26.67 53.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.74 -53.07 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.065 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.0 p -113.98 -176.29 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 tptp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.788 HD12 ' HA2' ' A' ' 59' ' ' GLY . 12.8 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.79 0.329 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 31.7 m95 -121.78 155.14 35.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.675 ' HB2' HD11 ' A' ' 107' ' ' LEU . . . -136.21 140.04 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 33.7 t -58.49 134.85 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 103' ' ' LEU . 4.3 tp -87.85 -19.81 26.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.636 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 3.4 tp10 -53.27 117.18 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.955 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -53.08 -39.55 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.347 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -10.9 59.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.449 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 76' ' ' GLU . 2.3 t -114.11 150.1 34.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.976 0.417 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -146.99 60.17 1.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.349 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -107.06 145.69 32.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.453 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.663 HG22 ' HD3' ' A' ' 56' ' ' LYS . 14.9 t -102.86 124.66 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.65 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.58 159.18 24.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.77 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.9 p -103.39 142.05 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 110.718 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.4 -164.56 9.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.952 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -19.84 54.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.723 0.296 . . . . 0.0 111.347 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -16.67 56.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.249 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -125.09 -73.25 0.64 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.61 0.243 . . . . 0.0 111.474 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 89' ' ' VAL . 11.6 t -145.34 17.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.09 31.89 12.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.793 0.33 . . . . 0.0 110.999 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.64 -37.59 65.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.769 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -36.89 75.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.432 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -70.7 -48.3 55.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.444 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.9 mt -59.14 -51.54 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.372 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -58.36 -37.07 74.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.078 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -59.35 -45.71 90.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.763 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -48.78 53.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.872 0.368 . . . . 0.0 111.108 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -48.62 56.68 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.455 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.4 p -101.28 9.11 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt 60.44 22.0 11.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.683 0.278 . . . . 0.0 111.094 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 99' ' ' THR . 49.8 m170 -90.08 96.38 10.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -86.57 10.65 14.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.824 HD11 ' HB3' ' A' ' 42' ' ' LEU . 3.6 mm? -114.49 117.76 31.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.033 0.444 . . . . 0.0 111.239 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.0 t -132.51 135.72 46.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.473 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.5 p -120.39 118.66 57.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.889 0.376 . . . . 0.0 111.491 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 7.4 p30 -69.0 120.12 14.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.418 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -72.16 -7.49 49.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.8 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.89 -41.12 26.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.795 0.331 . . . . 0.0 111.362 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.04 -0.21 11.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.663 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.9 mt 58.93 42.53 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.11 137.92 51.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.1 t -92.5 150.1 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -137.67 143.75 41.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 111.292 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.5 t -111.69 110.52 20.95 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.586 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -69.23 -42.18 76.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.591 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.499 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -62.47 -52.68 62.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 111.185 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.5 m -69.95 -30.19 67.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.3 m 76.09 54.46 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.619 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.95 166.27 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.991 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.57 134.27 35.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.7 m -124.2 -179.57 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 43.5 p90 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.448 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.363 0 CA-C-O 120.705 0.288 . . . . 0.0 110.514 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 43' ' ' ASP . 45.8 Cg_endo -68.05 -44.27 4.01 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.774 2.316 . . . . 0.0 113.108 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.775 ' HB3' HD21 ' A' ' 103' ' ' LEU . 18.0 m80 -46.85 -55.22 8.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.457 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HA ' HG22 ' A' ' 45' ' ' VAL . 4.1 pp -76.78 -31.67 57.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.923 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 23.3 t70 -61.18 -22.13 64.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.946 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -86.07 -43.17 13.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.193 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.773 HG12 ' HG2' ' A' ' 76' ' ' GLU . 36.0 m -74.65 127.12 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.32 -149.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.594 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -114.74 163.33 15.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.79 HG21 HD21 ' A' ' 53' ' ' LEU . 1.6 tt -104.08 142.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -80.62 159.97 25.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.036 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -43.25 97.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.862 ' HA ' HD12 ' A' ' 54' ' ' ILE . 3.6 mt-10 -58.81 -34.15 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.764 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.639 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -72.39 -42.51 65.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.626 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.79 HD21 HG21 ' A' ' 48' ' ' ILE . 24.9 mt -71.6 -31.8 67.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 51' ' ' GLU . 21.2 mt -55.29 -47.04 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.618 ' HA ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -64.56 -40.13 95.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 110.389 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.707 ' HG2' HG22 ' A' ' 82' ' ' VAL . 10.6 mttm -68.95 -32.19 71.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.194 0.521 . . . . 0.0 109.936 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 p -70.77 -12.63 61.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.669 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 55' ' ' GLN . 3.3 mt -61.91 -19.02 62.25 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.936 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.623 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.32 46.37 5.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.198 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.411 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 1.6 m -144.46 138.5 27.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.825 0.345 . . . . 0.0 111.031 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.6 t -87.08 140.64 29.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -77.02 -31.32 56.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.318 -179.662 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -78.72 -53.18 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.273 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.3 p -115.83 -179.95 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.057 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.744 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.623 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.1 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.951 0.405 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -114.19 159.01 20.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.992 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.43 140.76 32.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.2 t -56.43 131.19 47.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.775 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD23 HG21 ' A' ' 45' ' ' VAL . 28.0 tp -81.76 -21.63 37.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.483 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.773 ' HG2' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -53.54 114.46 1.53 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 110.956 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -54.53 -35.5 63.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -76.14 -26.87 56.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -96.56 149.98 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 t -142.71 68.02 1.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.704 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -120.35 144.97 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.056 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.707 HG22 ' HG2' ' A' ' 56' ' ' LYS . 5.6 t -111.11 120.37 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.784 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.35 162.94 24.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.778 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.7 p -103.43 146.48 28.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 0.0 110.741 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.76 -163.0 8.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.943 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 pm0 -60.89 -17.55 51.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.594 0.235 . . . . 0.0 111.477 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.5 m -62.23 -18.98 62.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.687 0.28 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -122.36 -72.0 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 89' ' ' VAL . 10.5 t -147.87 20.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.485 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 49.26 35.4 7.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.922 0.392 . . . . 0.0 111.177 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -55.16 -37.24 66.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.705 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -59.57 -36.33 76.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.448 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.515 HG22 ' OE1' ' A' ' 97' ' ' GLN . 90.3 m -71.16 -49.23 46.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.549 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.03 -50.48 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.262 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -59.39 -37.6 78.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.097 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 t -58.82 -43.26 90.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.78 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.515 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.61 -48.8 53.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -49.52 -48.6 48.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.976 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.44 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.8 p -106.55 12.39 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt 57.02 22.13 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.612 0.244 . . . . 0.0 111.461 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 99' ' ' THR . 57.7 m170 -86.64 96.31 10.07 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.747 ' C ' HD22 ' A' ' 103' ' ' LEU . 23.1 m-85 -90.1 21.08 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.766 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 41' ' ' HIS . 2.5 mm? -123.22 116.87 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.1 t -137.88 139.48 39.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 111' ' ' ARG . 14.7 p -120.2 126.27 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.428 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -83.14 120.96 26.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.458 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.512 HD23 HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.21 -10.04 59.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.58 -179.546 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.64 -35.85 52.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.73 0.3 . . . . 0.0 111.308 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.12 -3.9 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.502 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.6 mt 60.39 35.72 20.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.805 0.336 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 105' ' ' VAL . 26.8 mmt180 -114.05 159.34 20.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.6 t -111.72 150.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.424 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 76.6 t-105 -130.91 139.34 50.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.8 110.33 18.92 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.639 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 16.3 m-85 -69.15 -42.04 76.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.618 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.511 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.67 -52.55 65.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.975 0.416 . . . . 0.0 110.936 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.1 m -69.21 -30.12 68.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.496 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 p 77.29 47.68 0.06 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.814 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.424 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -171.26 171.32 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.04 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -85.59 143.41 28.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.437 HG11 ' CD2' ' A' ' 42' ' ' LEU . 3.7 m -127.11 164.43 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 29.4 p90 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.433 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.591 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 52.2 Cg_endo -68.84 -45.68 2.04 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.761 2.308 . . . . 0.0 113.1 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.4 m80 -46.43 -55.12 7.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.786 0.327 . . . . 0.0 111.41 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.9 pp -74.06 -36.28 64.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.847 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 1.0 OUTLIER -59.86 -21.91 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.247 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 p -82.64 -43.18 17.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.245 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 42' ' ' LEU . 27.6 m -71.89 170.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.367 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.64 -139.28 8.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.461 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -140.35 150.32 43.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.543 ' HB ' HD21 ' A' ' 53' ' ' LEU . 31.8 mt -96.79 152.7 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 p -81.32 159.96 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -30.46 70.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 54' ' ' ILE . 3.8 mt-10 -64.73 -41.94 95.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.44 -44.18 62.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.058 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.543 HD21 ' HB ' ' A' ' 48' ' ' ILE . 31.5 mt -65.06 -31.85 73.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -53.87 -42.48 53.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 111.141 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.402 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 4.6 mt-30 -67.93 -42.22 81.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.653 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.795 ' HD3' HG22 ' A' ' 82' ' ' VAL . 28.7 mttm -68.87 -32.28 71.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.92 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.7 p -72.03 -12.33 61.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.623 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 58' ' ' LEU . 18.3 mt -61.98 -19.06 62.39 Favored 'General case' 0 CA--C 1.528 0.098 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.988 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.79 47.03 2.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.606 -0.806 . . . . 0.0 113.41 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.405 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 16.7 p -144.18 137.96 27.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.8 t -87.37 141.77 28.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.45 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.26 -34.33 55.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.441 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -75.09 -53.14 9.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.462 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.3 p -126.64 -176.58 3.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.108 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.6 mttm . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.589 179.727 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.405 ' CD1' ' N ' ' A' ' 60' ' ' THR . 6.0 mt . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.954 0.407 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.8 m95 -109.58 141.76 41.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.56 144.41 49.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.488 ' O ' HD11 ' A' ' 48' ' ' ILE . 19.3 t -56.76 137.04 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.821 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.531 HD22 HG11 ' A' ' 112' ' ' VAL . 26.8 tp -87.09 -16.17 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.921 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.5 OUTLIER -53.34 135.67 38.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.829 0.347 . . . . 0.0 110.939 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -64.86 -37.75 88.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -25.41 27.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.298 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.7 t -98.37 130.01 45.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.133 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -132.96 62.32 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.421 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -105.06 148.57 26.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.286 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.795 HG22 ' HD3' ' A' ' 56' ' ' LYS . 7.3 t -108.79 119.8 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.712 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -131.31 162.86 23.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.751 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.9 p -103.42 148.66 25.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.765 0.316 . . . . 0.0 110.621 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.78 -159.55 24.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.837 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -19.01 26.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.538 0.208 . . . . 0.0 111.452 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.3 t -62.09 -18.06 59.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.255 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -126.89 -77.49 0.58 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.751 0.31 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 89' ' ' VAL . 11.1 t -142.59 16.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.608 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.64 37.1 19.05 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.94 0.4 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -54.71 -37.75 66.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.715 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -59.18 -36.67 75.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.581 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 88.0 m -71.26 -53.06 15.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.573 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -56.11 -48.86 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.333 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -59.87 -38.09 81.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.0 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.2 t -58.04 -43.85 87.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.807 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 93' ' ' THR . 0.6 OUTLIER -70.84 -48.66 52.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.88 0.371 . . . . 0.0 111.176 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -48.61 53.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.339 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.4 p -102.62 10.08 38.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.86 21.93 10.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.727 0.299 . . . . 0.0 111.269 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 99' ' ' THR . 49.5 m170 -89.75 96.12 10.55 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.762 ' C ' HD22 ' A' ' 103' ' ' LEU . 35.8 m-85 -89.73 21.79 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.762 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.8 mm? -122.48 116.4 23.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.928 0.394 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 t -133.65 129.32 36.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.694 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' A' ' 112' ' ' VAL . 11.3 p -120.37 123.89 71.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.933 0.397 . . . . 0.0 111.473 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.494 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 6.9 p30 -76.75 124.11 27.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.382 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.51 -15.99 61.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.729 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -34.3 28.59 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.01 -11.09 14.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.1 mt 62.14 30.98 17.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -114.14 138.58 50.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.531 HG11 HD22 ' A' ' 75' ' ' LEU . 22.0 t -99.22 150.13 5.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.302 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.411 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 70.4 t-105 -129.57 139.31 51.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.8 t -110.68 109.22 19.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.666 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -69.3 -41.47 76.71 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.657 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.473 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.83 -52.63 64.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.8 m -70.37 -30.12 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.03 51.19 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.544 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.411 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -170.81 -177.89 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.024 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -93.51 144.81 25.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.6 m -136.78 161.22 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.9 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.496 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 120.727 0.299 . . . . 0.0 110.691 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.83 -44.04 8.58 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.757 2.304 . . . . 0.0 113.248 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 20.5 m80 -47.57 -55.41 9.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.391 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.536 ' O ' HG22 ' A' ' 45' ' ' VAL . 3.9 pp -73.23 -33.82 65.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 0.0 110.969 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 28.0 t0 -55.42 -21.86 17.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.322 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -83.77 -43.1 15.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.689 0.281 . . . . 0.0 111.284 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 42' ' ' LEU . 21.4 m -69.09 146.87 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.109 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.97 -123.44 0.83 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.43 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -139.06 162.41 35.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.571 HG21 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -102.26 137.49 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 p -76.83 159.94 29.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.33 -45.48 94.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.715 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.85 ' HA ' HD12 ' A' ' 54' ' ' ILE . 2.2 tt0 -58.74 -32.85 69.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.551 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -72.39 -42.43 65.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.59 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.571 HD21 HG21 ' A' ' 48' ' ' ILE . 20.9 mt -71.71 -31.98 67.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 51' ' ' GLU . 23.8 mt -57.9 -45.6 87.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.812 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.591 ' HA ' HD12 ' A' ' 58' ' ' LEU . 2.1 tp60 -66.44 -41.35 89.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.621 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.883 ' HG2' HG22 ' A' ' 82' ' ' VAL . 13.1 mttm -69.01 -32.23 71.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.065 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.7 p -71.82 -12.82 61.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.423 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 55' ' ' GLN . 16.1 mt -62.29 -19.07 62.89 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.603 0.24 . . . . 0.0 110.999 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.689 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 88.5 45.0 5.09 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.986 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.5 p -144.09 138.72 28.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.972 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.5 t -86.8 143.01 27.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.517 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.11 -30.05 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.149 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.58 -53.15 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.189 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.3 p -120.73 -169.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.689 HD12 ' HA2' ' A' ' 59' ' ' GLY . 4.8 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.857 0.361 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.5 ' CE3' HG23 ' A' ' 104' ' ' THR . 30.8 m95 -112.96 160.74 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.632 ' HB1' ' NZ ' ' A' ' 56' ' ' LYS . . . -143.14 140.84 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.3 t -58.52 133.69 56.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.67 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.532 HD22 HG11 ' A' ' 112' ' ' VAL . 19.5 tp -84.49 -17.4 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.897 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.2 OUTLIER -54.41 133.0 45.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 0.0 110.892 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -65.29 -40.77 94.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.003 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -79.14 -16.01 57.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.281 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.401 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.7 t -109.22 123.94 50.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.897 0.379 . . . . 0.0 111.276 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.54 57.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.437 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -104.66 147.81 27.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.404 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.883 HG22 ' HG2' ' A' ' 56' ' ' LYS . 3.0 t -105.03 128.5 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.793 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.84 159.12 26.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.1 p -103.43 135.44 45.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.784 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.16 -159.89 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.815 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.43 -16.41 62.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.66 0.267 . . . . 0.0 111.491 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -62.33 -17.81 59.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.38 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -125.21 -78.13 0.6 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.629 0.252 . . . . 0.0 111.341 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 89' ' ' VAL . 5.9 t -136.96 18.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.746 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.13 30.44 9.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.737 0.303 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -54.22 -38.66 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 m -59.21 -36.17 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.659 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.484 HG23 ' CE2' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -71.18 -51.0 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.648 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.33 -49.59 79.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.308 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -59.07 -39.13 81.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.141 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -58.01 -43.75 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.778 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.424 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.79 -48.74 52.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.876 0.37 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -50.26 -48.7 54.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.116 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.447 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 45.7 p -103.71 10.75 36.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.1 mttm 58.23 22.04 8.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.701 0.286 . . . . 0.0 111.29 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 99' ' ' THR . 54.7 m170 -87.85 96.38 10.45 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.807 ' C ' HD22 ' A' ' 103' ' ' LEU . 24.4 m-85 -91.56 30.0 1.4 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.655 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.807 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.6 mm? -136.09 117.99 15.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.5 HG23 ' CE3' ' A' ' 72' ' ' TRP . 8.0 t -135.79 144.32 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 105' ' ' VAL . 13.5 p -120.17 122.91 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.326 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 3.0 p30 -82.47 121.54 26.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.72 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.31 -9.7 58.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.54 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.1 m -75.74 -43.02 48.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 111.28 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.05 3.46 11.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 110' ' ' LEU . 14.7 mt 55.94 38.27 29.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.793 0.33 . . . . 0.0 111.231 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -114.01 151.68 32.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.532 HG11 HD22 ' A' ' 75' ' ' LEU . 17.9 t -106.57 150.24 9.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 69.3 t-105 -129.59 140.09 51.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.447 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.2 t -114.07 111.27 21.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.352 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.484 ' CE2' HG23 ' A' ' 93' ' ' THR . 23.2 m-85 -69.18 -41.14 77.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.629 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.467 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.18 -52.62 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 111.015 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 m -69.63 -30.26 67.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.506 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 77.39 51.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.676 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.55 171.76 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.909 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 113' ' ' TRP . 2.5 pp20? -85.89 133.08 33.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.461 HG21 HD23 ' A' ' 42' ' ' LEU . 4.2 m -120.72 165.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 28.8 p90 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.468 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 120.767 0.318 . . . . 0.0 110.595 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.21 -45.59 3.7 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.794 2.33 . . . . 0.0 113.193 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.533 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.5 m80 -46.49 -55.15 7.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.457 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.715 ' HB3' HD11 ' A' ' 103' ' ' LEU . 4.0 pp -75.23 -32.88 61.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.888 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -57.83 -22.04 45.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.078 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.33 -43.17 11.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.6 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' A' ' 42' ' ' LEU . 34.4 m -72.72 136.0 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.887 0.375 . . . . 0.0 111.067 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.94 -149.56 8.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -119.77 165.22 14.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.916 0.389 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.617 HD13 ' HZ1' ' A' ' 56' ' ' LYS . 28.3 mt -107.28 150.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 p -78.28 160.01 28.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -61.24 -32.93 72.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -61.2 -43.56 98.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -38.87 67.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.025 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.519 HD23 ' HD2' ' A' ' 56' ' ' LYS . 18.4 mt -71.73 -31.95 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.431 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -55.43 -43.8 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.78 0.324 . . . . 0.0 111.04 -179.737 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -68.6 -39.14 81.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.558 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.865 ' HG2' HG22 ' A' ' 82' ' ' VAL . 48.4 mttt -67.98 -32.38 72.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.184 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.9 p -71.82 -12.9 61.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.401 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.53 -19.1 63.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.642 0.258 . . . . 0.0 111.069 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.683 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 84.78 49.05 4.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 113.043 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.416 ' O ' HG11 ' A' ' 82' ' ' VAL . 74.0 p -144.26 138.45 27.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 111.004 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.3 t -86.91 137.65 32.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -77.16 -31.5 55.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.64 -53.07 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.224 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -126.24 -169.17 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.955 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 mttt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.788 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.683 HD12 ' HA2' ' A' ' 59' ' ' GLY . 7.0 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.799 0.333 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.424 ' CE3' HG23 ' A' ' 104' ' ' THR . 61.7 m95 -114.96 120.64 40.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 107' ' ' LEU . . . -107.48 144.06 34.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.608 ' O ' HD11 ' A' ' 48' ' ' ILE . 13.3 t -58.93 144.13 45.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.763 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.633 HD23 HG21 ' A' ' 45' ' ' VAL . 11.1 tp -95.82 -15.53 22.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.933 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.4 133.83 40.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.906 0.384 . . . . 0.0 110.968 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -60.38 -40.55 91.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.036 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -85.06 -15.55 43.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.457 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.68 119.92 40.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 111.435 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -124.26 43.35 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.44 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -79.69 148.59 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.372 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.865 HG22 ' HG2' ' A' ' 56' ' ' LYS . 4.5 t -105.99 122.93 60.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.739 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.01 166.55 24.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.77 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.7 p -107.62 140.71 40.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 110.68 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.34 -176.24 10.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.99 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.41 ' CG ' ' HB3' ' A' ' 90' ' ' ASP . 1.2 tt0 -58.15 -21.87 48.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.653 0.264 . . . . 0.0 111.263 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.31 -18.24 60.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.181 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -120.43 -66.27 1.07 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.221 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.0 t -148.6 20.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.661 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.41 ' HB3' ' CG ' ' A' ' 86' ' ' GLU . 5.5 p-10 43.85 30.4 0.39 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.77 0.319 . . . . 0.0 111.52 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -36.91 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.392 . . . . 0.0 110.684 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.3 t -61.5 -35.56 78.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.454 HG22 ' OE1' ' A' ' 97' ' ' GLN . 4.0 m -71.09 -52.37 19.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.63 -49.36 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.246 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -58.64 -39.19 79.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.07 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.2 t -58.48 -42.76 88.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.62 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.454 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.59 -48.96 52.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.927 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.1 -48.59 53.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.053 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.471 ' HG1' ' CE1' ' A' ' 101' ' ' HIS . 54.1 p -104.78 10.78 34.45 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp 58.05 22.01 8.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.582 0.23 . . . . 0.0 111.383 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.471 ' CE1' ' HG1' ' A' ' 99' ' ' THR . 52.3 m170 -87.06 96.2 10.21 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.56 ' O ' HD22 ' A' ' 103' ' ' LEU . 30.2 m-85 -89.22 19.02 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.916 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.715 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.5 mm? -125.26 119.51 28.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.043 0.449 . . . . 0.0 111.236 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.424 HG23 ' CE3' ' A' ' 72' ' ' TRP . 5.6 t -134.12 141.86 47.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.753 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.5 p -120.36 113.19 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.265 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -69.43 120.44 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.499 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -72.24 -8.55 55.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.555 -179.665 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -76.59 -42.99 40.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.273 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.08 2.51 11.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.617 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.3 mt 58.85 32.93 22.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.795 0.331 . . . . 0.0 111.072 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -105.92 149.33 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.6 t -105.92 150.03 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.212 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 57.1 t-105 -131.92 143.59 50.24 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.8 t -114.53 112.81 23.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.679 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -69.43 -42.14 75.39 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.45 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.533 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.8 -52.72 63.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.813 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.3 m -68.97 -30.16 68.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.205 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 74.52 55.06 0.08 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.589 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.431 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -173.64 -178.88 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.61 142.0 28.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.48 161.93 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.184 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 22.3 p90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.524 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.355 0 CA-C-O 120.863 0.363 . . . . 0.0 110.699 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 41.8 Cg_endo -67.32 -45.59 3.59 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.828 2.352 . . . . 0.0 113.11 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.547 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 15.6 m80 -46.63 -55.3 7.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.493 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.588 ' HA ' HG22 ' A' ' 45' ' ' VAL . 4.2 pp -74.79 -32.86 62.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.905 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.455 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 1.3 m-20 -57.42 -22.06 40.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.203 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -87.01 -43.21 12.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.399 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.754 HG21 HD23 ' A' ' 75' ' ' LEU . 35.0 m -75.38 135.91 26.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.869 0.366 . . . . 0.0 111.271 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.93 -123.7 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.589 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -140.62 164.09 31.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 111.069 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.94 HG21 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -99.45 139.02 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.867 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 p -76.84 159.87 29.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -62.65 -42.79 99.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.621 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.848 ' HA ' HD12 ' A' ' 54' ' ' ILE . 78.9 mt-10 -58.84 -32.82 69.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -72.35 -50.25 28.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 179.689 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.94 HD21 HG21 ' A' ' 48' ' ' ILE . 99.2 mt -63.82 -31.98 73.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 51' ' ' GLU . 22.1 mt -53.9 -44.18 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.07 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -40.06 80.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.618 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CD ' ' HB1' ' A' ' 73' ' ' ALA . 15.5 mttt -68.98 -32.2 71.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.923 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -70.82 -12.69 61.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.448 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.4 mt -62.17 -19.05 62.68 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.974 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.01 41.69 5.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.199 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.6 p -144.14 138.36 28.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.34 . . . . 0.0 110.945 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.14 140.52 29.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -77.09 -32.18 56.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -74.94 -53.05 9.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.0 p -122.52 175.68 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.064 0.459 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 37.6 m95 -105.52 159.32 16.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.427 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -142.88 144.66 32.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.0 t -61.43 132.7 54.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.531 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.754 HD23 HG21 ' A' ' 45' ' ' VAL . 6.2 tp -85.04 -17.35 37.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.71 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.617 ' HG2' HG12 ' A' ' 45' ' ' VAL . 2.1 tm-20 -53.41 125.41 17.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -60.71 -37.42 81.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -20.02 46.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.195 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.402 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.8 t -104.05 150.0 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.069 0.461 . . . . 0.0 111.286 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.6 m -145.49 59.7 1.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.209 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.24 142.21 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.401 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.0 t -104.8 119.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.61 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.0 162.09 25.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.091 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.9 p -103.42 148.43 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.685 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.1 -169.21 31.13 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.053 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.45 -21.79 39.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 111.299 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.4 m -62.23 -17.2 57.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.31 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.99 -70.72 0.74 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.228 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 89' ' ' VAL . 13.4 t -146.83 16.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 t0 47.4 33.49 2.78 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.943 0.401 . . . . 0.0 111.25 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -55.45 -35.56 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.614 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -60.74 -36.57 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.543 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.454 HG22 ' OE1' ' A' ' 97' ' ' GLN . 88.0 m -71.43 -48.9 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.422 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.524 HG22 ' OE1' ' A' ' 98' ' ' GLU . 3.7 mt -58.15 -51.51 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.957 0.408 . . . . 0.0 110.367 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.11 -35.9 76.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.014 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -59.67 -42.26 92.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.825 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.454 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.75 -48.83 52.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.829 0.347 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.524 ' OE1' HG22 ' A' ' 94' ' ' ILE . 1.7 mt-10 -50.32 -48.67 55.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.076 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 52.1 p -103.59 10.45 36.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm 58.05 22.14 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 111.289 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 99' ' ' THR . 54.7 m170 -87.32 96.5 10.37 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.808 ' C ' HD22 ' A' ' 103' ' ' LEU . 30.2 m-85 -91.53 29.89 1.41 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.562 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.808 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.2 mm? -132.55 117.35 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 0.0 110.863 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.7 t -135.29 137.54 42.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 111' ' ' ARG . 11.9 p -120.41 125.35 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 9.7 p30 -81.19 123.54 28.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.52 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.716 HD23 HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.29 -16.88 61.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.44 -179.797 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -27.09 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.753 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.93 -10.26 11.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.603 0.24 . . . . 0.0 111.583 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 110' ' ' LEU . 15.8 mt 60.77 29.61 19.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.792 0.329 . . . . 0.0 111.051 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.612 ' O ' HG23 ' A' ' 105' ' ' VAL . 22.3 mtt180 -114.07 158.33 21.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.82 150.18 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 69.0 t-105 -131.1 140.37 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.967 0.413 . . . . 0.0 111.39 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.0 t -113.09 112.33 23.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -69.24 -42.06 76.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.602 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.547 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.96 -52.61 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 111.106 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.8 m -69.93 -30.05 67.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.419 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.26 52.0 0.05 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.768 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.3 OUTLIER -176.51 170.16 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.85 136.33 34.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.785 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 42' ' ' LEU . 4.1 m -126.1 168.89 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.0 p90 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.496 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.485 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.13 -44.24 2.64 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.776 2.317 . . . . 0.0 113.088 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.769 ' HB3' HD21 ' A' ' 103' ' ' LEU . 18.5 m80 -46.44 -55.17 7.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.457 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 43' ' ' ASP . 4.1 pp -75.82 -36.45 59.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.527 ' N ' HD12 ' A' ' 42' ' ' LEU . 24.7 t0 -59.66 -22.09 61.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.3 p -85.21 -43.04 14.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 111.311 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 42' ' ' LEU . 34.2 m -76.14 156.92 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.215 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.03 155.38 16.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.33 157.04 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.594 HD11 ' O ' ' A' ' 74' ' ' CYS . 31.7 mt -100.1 148.78 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.1 p -76.93 160.54 29.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -61.92 -30.2 70.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' O ' HG22 ' A' ' 54' ' ' ILE . 3.9 tp10 -62.3 -46.86 86.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.67 -35.77 67.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.709 HD23 ' HD2' ' A' ' 56' ' ' LYS . 20.4 mt -71.42 -31.81 67.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.6 tp -53.36 -42.39 47.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.414 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 1.2 mp0 -68.55 -40.79 80.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.518 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.709 ' HD2' HD23 ' A' ' 53' ' ' LEU . 30.9 mttm -69.15 -32.24 71.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.074 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 p -72.58 -12.76 61.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.585 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.22 -19.11 62.82 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.695 0.283 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.551 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.43 50.99 3.42 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.984 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.9 p -144.25 138.56 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.0 t -86.95 142.7 27.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.773 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.512 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.05 -28.06 54.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.23 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -89.38 -52.16 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.106 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.9 p -118.56 -164.26 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.882 0.372 . . . . 0.0 110.746 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.551 HD12 ' HA2' ' A' ' 59' ' ' GLY . 9.8 mt . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.831 0.348 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 24.5 m95 -107.47 159.08 16.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.554 ' HB1' ' HD3' ' A' ' 56' ' ' LYS . . . -140.34 143.3 35.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.594 ' O ' HD11 ' A' ' 48' ' ' ILE . 21.2 t -58.69 133.05 55.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 103' ' ' LEU . 24.7 tp -83.49 -20.2 34.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.503 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.3 OUTLIER -53.34 119.9 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 110.993 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.05 -35.25 71.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -78.59 -28.07 45.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 2.7 t -94.3 149.31 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 p -142.3 50.34 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.565 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -99.32 146.29 26.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.211 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.642 HG22 ' HG2' ' A' ' 56' ' ' LYS . 11.1 t -112.47 128.83 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.712 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.33 164.4 26.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.786 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.0 p -103.45 140.45 37.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.655 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.96 -171.16 2.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.845 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -17.04 62.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.65 0.262 . . . . 0.0 111.315 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -18.74 62.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.063 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.36 -70.85 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.069 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 89' ' ' VAL . 14.7 t -143.76 16.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.644 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.46 32.5 3.36 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.917 0.389 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -37.18 65.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.655 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -36.37 78.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.586 HG22 ' OE1' ' A' ' 97' ' ' GLN . 85.8 m -70.15 -49.53 49.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.34 -49.59 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.304 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -58.57 -39.23 79.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.997 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.7 t -58.39 -41.7 85.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.691 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.586 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.51 -48.76 54.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.905 0.383 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.32 -48.61 55.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.907 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.474 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 58.8 p -108.43 17.67 21.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.538 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 99' ' ' THR . 6.9 ptpt 50.93 23.32 1.42 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 99' ' ' THR . 63.9 m170 -83.65 95.95 8.53 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.64 ' C ' HD22 ' A' ' 103' ' ' LEU . 17.8 m-85 -88.44 14.07 10.49 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 41' ' ' HIS . 2.5 mm? -116.54 117.17 29.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.809 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.418 HG23 ' HB3' ' A' ' 113' ' ' TRP . 5.0 t -136.64 138.96 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.2 p -120.89 125.37 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.352 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 2.7 p30 -81.19 121.81 26.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.651 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.32 -11.48 60.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.659 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -40.2 22.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.743 0.306 . . . . 0.0 111.724 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.31 -6.79 14.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.715 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 110' ' ' LEU . 14.7 mt 60.5 35.16 20.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -114.08 149.73 35.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.9 t -102.49 150.17 6.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.223 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 75.8 t-105 -131.22 141.16 49.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.5 t -118.07 108.91 15.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.694 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 54.5 m-85 -69.23 -39.76 78.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.457 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.475 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.86 -52.71 63.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.98 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.7 m -69.11 -30.07 68.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.452 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 m 77.83 50.43 0.04 OUTLIER 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.57 174.81 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.954 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.78 142.83 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.41 ' HB ' HD22 ' A' ' 42' ' ' LEU . 9.1 m -127.79 178.11 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.4 p90 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.509 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.383 0 CA-C-O 120.688 0.28 . . . . 0.0 110.536 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.38 -43.05 3.23 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.688 2.259 . . . . 0.0 113.169 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.558 ' HB3' HD21 ' A' ' 103' ' ' LEU . 19.2 m80 -47.51 -55.14 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.282 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 39' ' ' CYS . 4.0 pp -75.35 -36.03 61.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.881 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.493 ' N ' HD12 ' A' ' 42' ' ' LEU . 27.8 t70 -56.33 -21.99 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -85.97 -43.1 13.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.293 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.471 HG21 HD23 ' A' ' 75' ' ' LEU . 13.4 m -69.91 155.34 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 111.267 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.18 -130.82 3.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.451 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.58 153.18 46.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.335 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.477 HG21 ' CD2' ' A' ' 53' ' ' LEU . 28.8 mm -91.59 142.64 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.4 p -78.96 160.07 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.758 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' HG12 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -59.61 -47.45 85.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.795 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.86 -31.26 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.23 -51.0 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.477 ' CD2' HG21 ' A' ' 48' ' ' ILE . 40.9 mt -62.75 -32.46 73.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 50' ' ' LYS . 14.8 mm -55.81 -44.0 76.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -47.65 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.373 . . . . 0.0 110.731 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.915 ' HG2' HG22 ' A' ' 82' ' ' VAL . 3.5 mttt -64.59 -32.18 73.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 p -72.4 -12.44 61.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.529 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.06 -19.0 62.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.641 0.258 . . . . 0.0 111.021 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.733 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 88.95 45.89 4.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.378 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.411 ' N ' HD11 ' A' ' 71' ' ' LEU . 69.2 p -144.23 138.16 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.97 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.4 t -87.12 138.84 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.783 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.11 -27.71 54.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -53.04 5.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.218 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.6 p -121.12 -165.73 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.808 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.733 HD12 ' HA2' ' A' ' 59' ' ' GLY . 4.9 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.881 0.372 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -117.16 133.73 55.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.029 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.428 ' HB1' ' NZ ' ' A' ' 56' ' ' LYS . . . -118.86 145.69 45.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.001 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.6 t -57.22 140.16 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.714 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.524 HD22 ' CG1' ' A' ' 112' ' ' VAL . 15.1 tp -90.59 -15.51 30.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.836 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 7.2 tp10 -53.47 142.8 21.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.712 0.291 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -70.51 -38.35 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -26.51 27.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.445 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.5 t -96.19 135.6 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.952 0.406 . . . . 0.0 111.172 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.15 48.63 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.232 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -84.36 148.32 26.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.411 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.915 HG22 ' HG2' ' A' ' 56' ' ' LYS . 18.9 t -111.52 116.49 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.655 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -132.82 167.59 23.19 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.914 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 p -107.02 144.49 33.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.52 -173.62 13.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.933 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -20.69 47.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.59 0.233 . . . . 0.0 111.259 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.24 -19.03 62.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.047 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.81 -67.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.955 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 89' ' ' VAL . 14.0 t -148.98 17.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.778 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t0 46.76 30.93 1.28 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.897 0.379 . . . . 0.0 111.167 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.23 -38.33 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.708 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -36.93 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.525 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.423 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 26.8 m -70.22 -52.7 21.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.52 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.5 -47.76 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.385 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -59.96 -38.87 83.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.087 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 93' ' ' THR . 10.2 t -57.98 -43.67 86.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.758 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 93' ' ' THR . 0.7 OUTLIER -70.84 -48.71 52.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.931 0.396 . . . . 0.0 111.076 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -48.6 55.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.193 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.441 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.2 p -103.32 10.41 37.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.2 mttm 59.17 21.87 10.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.65 0.262 . . . . 0.0 111.263 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 99' ' ' THR . 52.8 m170 -89.37 96.15 10.59 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.75 ' C ' HD22 ' A' ' 103' ' ' LEU . 29.3 m-85 -89.71 22.78 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.679 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.75 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.0 mm? -124.03 117.17 24.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.919 0.39 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.6 t -138.02 135.88 36.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.675 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 105' ' ' VAL . 14.0 p -120.16 121.57 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.354 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -76.28 120.82 22.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.432 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.48 HD11 ' HB3' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.27 -8.28 53.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.791 -179.663 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 m -81.1 -34.54 32.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.715 0.293 . . . . 0.0 111.261 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.61 -8.1 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.567 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 mt 63.66 33.36 13.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 0.0 110.976 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.1 138.79 49.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.524 ' CG1' HD22 ' A' ' 75' ' ' LEU . 21.2 t -93.91 150.23 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.412 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 65.1 t-105 -131.6 142.42 49.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.337 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.3 t -114.74 111.94 22.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.63 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -69.3 -42.05 75.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.53 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.492 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.66 -52.49 64.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.965 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.3 -30.1 69.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.462 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.7 p 77.15 47.71 0.06 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.412 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -171.89 173.06 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.958 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -83.36 148.34 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.974 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 m -136.14 169.35 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.398 0 CA-C-O 120.769 0.318 . . . . 0.0 110.468 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HA ' ' HB3' ' A' ' 43' ' ' ASP . 48.8 Cg_endo -68.42 -44.01 3.74 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.686 2.257 . . . . 0.0 113.185 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.642 ' HB3' HD21 ' A' ' 103' ' ' LEU . 17.4 m80 -47.26 -55.16 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.686 0.279 . . . . 0.0 111.331 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.512 ' HA ' HG22 ' A' ' 45' ' ' VAL . 4.1 pp -75.98 -32.51 59.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.95 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.44 ' N ' HD12 ' A' ' 42' ' ' LEU . 35.4 t70 -62.3 -22.16 65.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.235 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.0 p -85.18 -43.3 13.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.197 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.782 HG21 HD23 ' A' ' 75' ' ' LEU . 27.1 m -70.71 126.11 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 111.169 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.63 -171.88 0.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.44 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.12 145.09 26.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.431 HD13 ' CD2' ' A' ' 53' ' ' LEU . 8.3 tt -87.92 146.7 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -88.67 160.1 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -59.58 -44.54 93.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.856 ' HA ' HD12 ' A' ' 54' ' ' ILE . 6.0 mm-40 -58.77 -33.09 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.775 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -72.31 -43.5 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.752 179.809 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 48' ' ' ILE . 28.3 mt -70.9 -32.04 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.041 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 51' ' ' GLU . 22.7 mt -55.15 -41.77 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.11 -47.88 75.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 110.525 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.85 ' HG2' HG22 ' A' ' 82' ' ' VAL . 4.1 mttp -65.86 -32.18 73.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.857 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 p -71.48 -12.44 61.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.533 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.96 -19.07 62.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.94 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.629 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 89.85 44.35 4.84 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.3 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.5 p -144.15 138.19 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.014 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.7 t -87.25 144.36 26.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.794 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.556 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.13 -34.09 56.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.233 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -81.31 -53.17 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.199 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.5 p -121.2 -165.24 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.629 HD12 ' HA2' ' A' ' 59' ' ' GLY . 8.9 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.876 0.369 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.538 ' CE3' HG23 ' A' ' 104' ' ' THR . 19.6 m95 -114.19 160.03 19.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.832 ' HB1' ' CE ' ' A' ' 56' ' ' LYS . . . -142.99 141.05 31.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.35 132.69 51.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.781 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.782 HD23 HG21 ' A' ' 45' ' ' VAL . 5.2 tp -84.63 -15.12 46.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.625 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.635 ' CD ' HG12 ' A' ' 45' ' ' VAL . 9.3 tp10 -56.42 134.07 53.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -65.94 -40.09 91.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.35 -24.52 50.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 76' ' ' GLU . 1.5 t -100.06 134.25 43.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 111.166 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 t -127.89 39.85 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.375 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -87.82 148.55 24.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.286 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.85 HG22 ' HG2' ' A' ' 56' ' ' LYS . 5.7 t -113.85 129.53 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.677 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -142.99 161.33 27.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.882 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.7 p -103.52 142.63 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.706 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.66 -164.94 6.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.065 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.86 -18.83 47.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.595 0.236 . . . . 0.0 111.468 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -62.13 -18.18 60.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.727 0.298 . . . . 0.0 111.145 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -122.89 -73.12 0.66 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 89' ' ' VAL . 13.9 t -144.35 17.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.642 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.1 t0 52.63 32.06 11.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.41 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -54.68 -37.12 65.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.671 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.404 ' HG ' ' HG1' ' A' ' 104' ' ' THR . 0.2 OUTLIER -59.61 -36.79 77.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.565 179.625 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.484 HG22 ' OE1' ' A' ' 97' ' ' GLN . 92.1 m -71.27 -49.84 38.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.499 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.16 -50.61 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.258 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -59.33 -37.78 78.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.071 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.2 t -58.73 -42.9 89.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.727 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.484 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.64 -48.89 52.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.841 0.353 . . . . 0.0 110.933 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.05 -48.68 52.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.06 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.442 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 49.0 p -105.24 11.91 32.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mttp 56.99 22.17 6.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.685 0.278 . . . . 0.0 111.285 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.1 m170 -87.51 96.39 10.38 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.803 ' C ' HD22 ' A' ' 103' ' ' LEU . 21.9 m-85 -90.84 29.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.67 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.803 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.4 mm? -132.26 117.19 17.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.853 0.358 . . . . 0.0 111.016 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.538 HG23 ' CE3' ' A' ' 72' ' ' TRP . 15.3 t -134.16 139.15 45.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.739 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.6 p -120.17 120.62 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 0.0 111.285 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.4 ' HB3' ' CE2' ' A' ' 72' ' ' TRP . 7.7 p30 -80.87 119.69 23.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.585 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -72.09 -11.91 60.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.55 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -45.34 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.163 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.06 -0.08 11.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.548 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.7 mt 62.27 40.97 10.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.809 0.338 . . . . 0.0 111.092 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.14 148.28 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.8 t -105.09 150.13 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.034 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 73.7 t-105 -131.39 140.09 49.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 111.298 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.5 t -115.03 110.86 20.23 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.556 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 41.6 m-85 -69.24 -42.06 76.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.554 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.506 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.77 -52.54 65.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.907 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.7 m -69.25 -30.19 68.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.327 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 m 76.19 51.93 0.06 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.718 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.431 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.61 178.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -85.38 149.48 25.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.7 m -138.89 164.75 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 17.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.527 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.353 0 CA-C-O 120.711 0.291 . . . . 0.0 110.548 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.03 -45.4 3.02 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.714 2.276 . . . . 0.0 113.132 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 13.8 m80 -45.8 -54.98 7.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.482 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.68 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.2 pp -73.45 -39.11 65.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.601 ' N ' HD12 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -56.82 -21.73 31.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.394 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 t -80.87 -43.09 20.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.745 0.307 . . . . 0.0 111.157 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 42' ' ' LEU . 35.4 m -66.39 157.13 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.153 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.23 -129.02 2.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -140.57 157.98 44.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.332 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.521 HG21 HD21 ' A' ' 53' ' ' LEU . 1.8 tt -110.25 144.6 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 p -94.2 159.91 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.999 0.428 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -29.56 70.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -58.93 -46.79 87.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.811 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -72.55 -44.65 61.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.521 HD21 HG21 ' A' ' 48' ' ' ILE . 14.3 mt -59.5 -31.79 69.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.389 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -57.66 -44.29 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.35 . . . . 0.0 111.039 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 2.8 tm0? -69.02 -40.9 78.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HE3' HD11 ' A' ' 48' ' ' ILE . 29.5 mttm -69.05 -32.45 71.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.947 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -70.76 -12.49 61.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.382 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.89 -19.07 62.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.708 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.696 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 88.7 51.32 3.09 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.42 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.7 p -144.18 138.34 28.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.922 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.4 t -87.24 138.17 31.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.816 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -30.06 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.136 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -78.47 -53.07 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.183 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.0 p -125.25 -174.4 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.032 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.737 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.696 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.0 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.011 0.434 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -109.24 145.43 35.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.92 136.59 47.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.82 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.75 131.99 48.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.955 0.407 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.487 HD13 ' HB ' ' A' ' 105' ' ' VAL . 11.5 tp -84.71 -14.15 49.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.797 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.83 134.91 48.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.791 0.329 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -65.93 -38.49 88.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.075 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -19.36 37.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.314 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -106.02 125.13 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 111.168 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -123.12 43.37 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -90.18 148.11 23.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.269 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.6 t -114.27 127.66 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.85 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -135.15 165.56 24.63 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.809 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.6 p -103.34 144.68 31.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.708 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.5 -163.32 5.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.88 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -13.42 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.544 0.211 . . . . 0.0 111.529 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -17.57 58.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.187 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -128.4 -76.82 0.56 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.597 0.237 . . . . 0.0 111.214 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 89' ' ' VAL . 13.0 t -135.81 14.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.864 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 t0 50.87 37.19 16.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.891 0.377 . . . . 0.0 110.833 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -54.34 -36.58 63.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.707 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -37.5 81.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.563 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.48 HG22 ' OE1' ' A' ' 97' ' ' GLN . 87.1 m -70.83 -52.57 19.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.744 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.17 -49.82 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.012 0.434 . . . . 0.0 110.392 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -58.2 -39.49 79.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.174 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 t -58.24 -44.48 88.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.832 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.48 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.2 OUTLIER -70.75 -48.9 51.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.897 0.38 . . . . 0.0 111.071 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.42 -48.62 56.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.214 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 41.5 p -103.62 11.65 35.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 57.83 21.99 8.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.795 0.331 . . . . 0.0 111.274 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 99' ' ' THR . 58.2 m170 -88.38 96.35 10.56 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.756 ' C ' HD22 ' A' ' 103' ' ' LEU . 26.4 m-85 -90.79 22.77 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.674 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.756 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.8 mm? -123.01 117.01 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.911 0.386 . . . . 0.0 110.788 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.4 t -139.04 132.43 30.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.487 ' HB ' HD13 ' A' ' 75' ' ' LEU . 12.3 p -120.19 122.49 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 111.391 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -78.45 126.35 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.212 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.6 -34.66 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.714 -179.382 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.03 -30.74 70.03 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.98 -15.79 14.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.658 0.266 . . . . 0.0 111.518 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 110' ' ' LEU . 13.3 mt 62.39 28.22 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.298 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 105' ' ' VAL . 3.0 mtt85 -114.34 150.71 34.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.029 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 t -104.28 146.09 12.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.443 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 71.7 t-105 -127.38 142.54 51.4 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 111.57 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 25.5 t -118.17 111.34 18.71 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.442 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -69.29 -42.06 75.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.709 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.473 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -58.39 -52.63 64.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.986 0.422 . . . . 0.0 110.715 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.5 m -69.81 -30.05 67.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.057 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.2 m 74.67 51.78 0.09 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.719 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.443 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 1.9 ptmt -176.53 178.26 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.406 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.47 147.51 30.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.649 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.3 m -147.0 166.6 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.931 0.396 . . . . 0.0 111.293 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.843 179.862 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.509 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 120.746 0.308 . . . . 0.0 110.584 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 56.5 Cg_endo -70.12 -42.47 3.0 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.74 2.294 . . . . 0.0 113.141 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.537 ' HB3' HD21 ' A' ' 103' ' ' LEU . 21.3 m80 -48.34 -55.34 10.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.341 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.626 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.1 pp -75.66 -36.12 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.008 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.491 ' N ' HD12 ' A' ' 42' ' ' LEU . 11.5 m-20 -55.05 -21.93 14.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.524 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.34 -43.02 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 111.388 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 42' ' ' LEU . 20.7 m -67.24 -176.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.398 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.54 -136.04 4.54 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.402 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -140.58 154.75 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.331 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.533 ' HB ' HD21 ' A' ' 53' ' ' LEU . 29.8 mt -105.25 150.55 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.7 p -76.76 160.1 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.66 -32.46 72.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.775 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.478 ' O ' HG22 ' A' ' 54' ' ' ILE . 9.7 tp10 -61.7 -42.8 99.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -43.94 62.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.109 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.533 HD21 ' HB ' ' A' ' 48' ' ' ILE . 34.3 mt -65.89 -32.0 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.407 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -55.67 -41.76 66.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.838 0.351 . . . . 0.0 111.103 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.406 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 39.6 mt-30 -66.95 -42.67 84.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.569 ' CD ' HG22 ' A' ' 82' ' ' VAL . 14.7 mttt -69.05 -32.31 71.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.235 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.9 p -74.51 -12.68 60.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.523 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.26 -19.13 62.9 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.716 0.294 . . . . 0.0 111.091 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.536 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 92.77 45.74 3.58 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.966 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.0 p -144.04 138.58 28.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 111.013 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.4 t -86.87 139.98 30.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.03 -30.0 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.95 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.68 -53.07 5.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -114.27 -172.6 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.034 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 pttm . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.536 HD12 ' HA2' ' A' ' 59' ' ' GLY . 10.1 mt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.983 0.421 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.426 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.4 m95 -115.4 143.32 45.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.155 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.66 145.34 49.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.809 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.0 t -57.4 131.86 51.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.56 HD23 HG21 ' A' ' 45' ' ' VAL . 13.0 tp -78.43 -23.98 46.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.595 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.4 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.8 tp10 -53.54 120.03 5.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 110.954 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -57.08 -35.93 69.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.201 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -78.91 -21.23 47.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.8 t -104.7 122.82 46.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.207 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.42 73.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.461 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -121.3 142.79 49.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.414 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.569 HG22 ' CD ' ' A' ' 56' ' ' LYS . 9.6 t -106.35 120.55 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.632 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -130.85 167.55 22.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.853 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.4 p -107.91 147.48 30.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.907 0.384 . . . . 0.0 110.718 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.83 -169.16 35.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.948 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -56.05 -20.95 19.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.642 0.258 . . . . 0.0 111.526 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -62.17 -18.24 60.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.82 -70.62 0.74 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.022 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.9 t -146.54 16.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.82 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.28 33.12 2.43 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.997 0.427 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -54.37 -34.22 60.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.686 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -39.67 87.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.688 HG23 ' CE2' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -69.93 -48.77 57.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.521 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.31 -49.38 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.281 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.415 ' HA ' ' HG2' ' A' ' 98' ' ' GLU . 8.0 t60 -58.97 -37.07 75.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.113 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 t -61.45 -41.84 97.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.226 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.416 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.83 -49.76 42.79 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.861 -179.253 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.512 ' HG3' HG23 ' A' ' 99' ' ' THR . 26.5 pt-20 -55.24 -48.11 74.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 98' ' ' GLU . 49.4 p -97.17 9.43 42.18 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp 55.51 22.3 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.681 0.277 . . . . 0.0 111.227 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 99' ' ' THR . 61.3 m170 -87.46 96.17 10.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.037 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.795 ' C ' HD22 ' A' ' 103' ' ' LEU . 21.0 m-85 -88.99 27.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.763 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.795 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.9 mm? -128.0 116.56 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.424 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.9 t -136.29 131.69 34.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.592 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.517 ' HB ' HD13 ' A' ' 75' ' ' LEU . 12.0 p -120.16 119.3 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.406 . . . . 0.0 111.382 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 3.6 p30 -73.83 120.47 19.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.419 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.32 -13.56 61.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.584 -179.621 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -30.43 31.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.683 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.33 -8.96 11.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.583 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.5 mt 61.77 30.47 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 111.024 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -114.17 140.77 48.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 28.7 t -97.38 150.16 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.229 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 71.3 t-105 -131.0 141.68 50.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.6 t -117.74 112.52 20.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.608 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.688 ' CE2' HG23 ' A' ' 93' ' ' THR . 42.7 m-85 -69.23 -42.1 76.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.641 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.507 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.87 -52.54 65.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.933 0.397 . . . . 0.0 110.977 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.8 m -68.97 -30.17 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 m 76.45 52.18 0.05 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.686 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.42 177.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.057 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -88.53 146.44 25.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.405 HG21 ' CD2' ' A' ' 42' ' ' LEU . 7.7 m -134.69 172.07 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.16 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.515 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 120.718 0.294 . . . . 0.0 110.62 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 43' ' ' ASP . 46.1 Cg_endo -68.01 -44.47 3.87 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.735 2.29 . . . . 0.0 113.19 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.653 ' HB3' HD21 ' A' ' 103' ' ' LEU . 23.4 m80 -47.5 -55.51 8.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 111.292 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.606 ' HA ' HG22 ' A' ' 45' ' ' VAL . 3.8 pp -75.16 -31.51 61.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.912 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 29.3 t70 -60.51 -22.05 63.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.064 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.59 -43.27 12.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.242 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.675 HG21 HD23 ' A' ' 75' ' ' LEU . 27.0 m -73.01 125.25 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.76 -151.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.515 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -121.12 147.07 46.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 0.0 111.057 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.644 HD11 ' HB3' ' A' ' 52' ' ' ASP . 16.9 tt -83.59 144.61 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.8 p -81.36 159.82 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.95 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -32.53 74.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.824 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -61.7 -41.82 98.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.034 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.644 ' HB3' HD11 ' A' ' 48' ' ' ILE . 1.7 m-20 -72.48 -46.64 53.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.694 HD22 HD23 ' A' ' 107' ' ' LEU . 56.4 mt -62.95 -31.93 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.359 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.4 tp -55.77 -42.59 70.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 111.092 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 32.3 tt0 -68.63 -47.24 67.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.604 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.523 ' HD3' HG22 ' A' ' 82' ' ' VAL . 45.2 mttt -63.96 -32.24 73.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.91 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 p -70.03 -12.82 61.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.502 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 19.7 mt -62.4 -19.06 63.04 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.703 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 89.6 45.98 4.44 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.257 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.404 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 69.3 p -144.19 138.64 28.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 37.1 t -86.86 137.96 31.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.817 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -77.19 -34.25 56.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.66 -53.07 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.33 -174.91 3.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.728 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.703 HD12 ' HA2' ' A' ' 59' ' ' GLY . 3.6 mt . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.793 0.33 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 31.3 m95 -111.06 149.01 31.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -135.98 142.05 44.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.0 t -56.83 135.31 55.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.796 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.675 HD23 HG21 ' A' ' 45' ' ' VAL . 15.9 tp -85.43 -15.85 41.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.693 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.471 ' HG2' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -56.2 129.21 39.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.768 0.318 . . . . 0.0 110.844 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -62.61 -36.56 83.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.206 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -83.87 -20.6 32.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.341 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.9 t -103.26 127.56 50.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 111.195 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -127.8 69.44 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.44 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -112.97 146.78 38.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.263 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.523 HG22 ' HD3' ' A' ' 56' ' ' LYS . 14.8 t -109.34 120.99 61.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.822 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.09 163.81 25.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.818 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.2 p -103.28 135.47 44.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 110.684 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.33 -165.02 0.61 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.777 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -65.2 -14.72 61.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.626 0.25 . . . . 0.0 111.396 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.9 m -62.32 -18.58 61.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.165 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -124.47 -78.86 0.6 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.688 0.28 . . . . 0.0 111.251 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.9 t -131.08 17.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.706 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 50.88 30.76 5.44 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -53.4 -40.19 64.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 m -59.04 -36.52 75.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.605 HG22 ' OE1' ' A' ' 97' ' ' GLN . 29.5 m -69.56 -51.57 34.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.673 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -56.03 -51.44 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.512 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -57.58 -39.5 76.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.198 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 t -58.02 -43.43 86.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.798 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.605 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.2 OUTLIER -70.81 -48.76 52.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.869 0.366 . . . . 0.0 110.913 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.6 -48.67 48.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.051 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.436 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.5 p -105.83 12.05 31.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 mttt 57.28 22.01 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 111.305 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 99' ' ' THR . 58.6 m170 -86.85 96.34 10.18 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.788 ' C ' HD22 ' A' ' 103' ' ' LEU . 19.3 m-85 -90.19 25.76 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.635 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.788 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.0 mm? -128.53 117.52 21.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 0.0 111.059 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.6 t -137.04 136.08 38.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.778 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 105' ' ' VAL . 14.6 p -120.26 122.34 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.342 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.3 p30 -77.72 124.34 27.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.249 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.694 HD23 HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.51 -21.24 61.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.954 -179.293 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m -78.43 -26.97 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.94 -9.41 10.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.605 0.241 . . . . 0.0 111.644 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.0 mt 59.11 30.76 20.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.302 . . . . 0.0 111.074 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -114.19 143.96 43.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.983 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.416 ' HB ' HG23 ' A' ' 121' ' ' VAL . 21.4 t -100.43 150.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.297 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -129.93 142.16 50.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 t -116.9 112.23 20.75 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.779 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.42 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 45.1 m-85 -69.36 -42.04 75.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.537 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.533 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.49 -52.47 65.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.071 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.5 m -69.05 -30.02 68.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.345 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.2 m 76.83 54.4 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.714 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.81 -179.89 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -92.88 137.78 32.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.416 HG23 ' HB ' ' A' ' 112' ' ' VAL . 5.3 m -122.42 162.56 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 120.81 0.338 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 48.6 Cg_endo -68.26 -44.91 3.12 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.816 2.344 . . . . 0.0 113.101 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 15.6 m80 -46.96 -55.24 8.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.41 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.9 pp -75.31 -34.1 61.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.031 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.46 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 3.0 m-20 -57.23 -21.99 37.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.253 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m -85.61 -43.17 13.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.587 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.663 HG21 HD23 ' A' ' 75' ' ' LEU . 35.5 m -70.11 162.39 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 111.305 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.17 -130.69 6.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -140.53 165.53 27.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.699 HG21 HD21 ' A' ' 53' ' ' LEU . 15.9 tt -107.24 141.22 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.015 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.8 p -77.16 159.98 29.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' O ' HG12 ' A' ' 54' ' ' ILE . 3.7 tttp -60.0 -45.64 92.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.778 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -37.94 76.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.571 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -66.68 -41.02 88.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.464 179.586 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.726 HD22 HD23 ' A' ' 107' ' ' LEU . 85.1 mt -71.84 -31.77 66.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 54' ' ' ILE . 10.6 mm -54.71 -46.88 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.868 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.553 ' OE1' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -66.47 -40.43 89.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.481 179.77 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.624 ' HG2' HG22 ' A' ' 82' ' ' VAL . 17.3 mttp -68.95 -32.3 71.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.984 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.3 p -71.68 -12.34 61.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.436 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.553 HD12 ' OE1' ' A' ' 55' ' ' GLN . 18.7 mt -61.85 -19.05 62.18 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.715 0.293 . . . . 0.0 110.964 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.51 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 91.81 46.02 3.78 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.551 -0.833 . . . . 0.0 113.457 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 p -144.18 137.78 27.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.0 t -87.45 143.66 27.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.668 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.458 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.14 -42.24 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.88 -53.09 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.22 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.3 p -127.2 -176.93 3.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.99 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mttt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.631 179.835 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.51 HD12 ' HA2' ' A' ' 59' ' ' GLY . 7.3 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.822 0.344 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.456 ' CE3' HG23 ' A' ' 104' ' ' THR . 25.2 m95 -126.15 145.84 50.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.435 ' HB1' ' CE ' ' A' ' 56' ' ' LYS . . . -128.97 141.02 51.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.09 133.03 55.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.659 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.663 HD23 HG21 ' A' ' 45' ' ' VAL . 5.7 tp -89.07 -10.14 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.963 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.7 OUTLIER -53.89 142.79 23.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.826 0.346 . . . . 0.0 110.935 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -69.26 -43.38 74.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -80.86 -22.52 39.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.182 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.0 OUTLIER -101.15 150.03 23.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.928 0.394 . . . . 0.0 111.224 -179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.8 m -150.54 43.93 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.394 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -87.29 148.56 25.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.292 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.624 HG22 ' HG2' ' A' ' 56' ' ' LYS . 2.7 t -108.93 122.3 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.68 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.88 164.05 24.45 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.796 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.6 p -103.38 139.18 39.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.699 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.69 -175.74 4.68 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.857 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.95 -20.31 56.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.711 0.291 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.9 m -62.28 -20.18 64.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.057 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -118.36 -67.96 0.95 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 89' ' ' VAL . 15.1 t -145.32 16.29 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.589 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.5 t0 48.13 28.3 1.48 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.959 0.409 . . . . 0.0 111.193 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.83 -38.01 64.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.759 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.9 t -58.72 -37.7 76.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.531 HG22 ' OE1' ' A' ' 97' ' ' GLN . 89.0 m -71.04 -49.31 46.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.637 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -57.36 -51.46 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.924 0.392 . . . . 0.0 110.331 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -58.88 -37.91 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.076 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t -57.91 -43.25 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.765 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.531 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.58 -48.78 53.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.912 0.387 . . . . 0.0 110.936 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.69 -48.66 39.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.043 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.437 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.5 p -107.18 11.83 29.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 mttm 58.12 22.11 8.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.616 0.246 . . . . 0.0 111.355 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 99' ' ' THR . 53.3 m170 -86.73 96.41 10.15 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.698 ' O ' HD22 ' A' ' 103' ' ' LEU . 35.8 m-85 -92.02 26.2 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.823 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.741 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.6 mm? -129.89 119.5 23.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.944 0.402 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.456 HG23 ' CE3' ' A' ' 72' ' ' TRP . 8.8 t -138.97 141.42 38.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.934 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 105' ' ' VAL . 13.8 p -120.22 119.11 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.92 0.39 . . . . 0.0 111.203 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -73.17 121.29 20.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.729 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.726 HD23 HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -72.18 -9.95 59.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.678 -179.764 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -33.53 29.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.632 0.253 . . . . 0.0 111.485 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.03 -4.89 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.69 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 mt 59.9 34.46 21.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.769 0.318 . . . . 0.0 110.954 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 105' ' ' VAL . 14.5 mtp180 -114.11 151.69 32.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.9 t -102.75 150.14 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -132.79 139.74 47.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.417 . . . . 0.0 111.305 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 15.6 t -112.85 111.64 22.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.442 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -69.25 -41.99 76.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.656 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.444 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.63 -52.63 64.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 110.951 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.7 m -69.13 -30.06 68.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.46 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 p 76.88 46.51 0.08 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.584 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.94 -178.47 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.93 138.7 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.27 165.2 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 37.9 p90 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.97 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.422 ' O ' ' OD2' ' A' ' 43' ' ' ASP . 58.1 Cg_endo -71.05 -26.06 22.0 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.026 2.484 . . . . 0.0 113.796 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.524 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.0 m80 -67.81 -53.56 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.669 0.271 . . . . 0.0 111.543 -179.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.86 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.7 pp -78.52 -37.55 42.74 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 40' ' ' PRO . 8.5 p-10 -59.36 -21.58 60.05 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.426 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.6 m -83.61 -43.19 15.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.722 0.296 . . . . 0.0 111.411 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.609 HG21 HD23 ' A' ' 75' ' ' LEU . 35.5 m -68.82 139.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.239 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.59 -136.59 0.9 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -140.53 160.38 40.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.55 HG22 ' HB2' ' A' ' 52' ' ' ASP . 27.7 mt -106.77 149.14 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.7 p -76.87 160.12 29.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -40.4 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.73 ' HA ' HD12 ' A' ' 54' ' ' ILE . 1.5 mm-40 -58.86 -38.32 78.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.55 ' HB2' HG22 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -72.39 -43.31 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.9 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.05 -31.89 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 51' ' ' GLU . 16.1 mt -56.16 -46.66 81.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.459 ' HA ' HD12 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -64.07 -41.49 97.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.93 0.395 . . . . 0.0 110.418 179.659 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.691 ' HG2' HG22 ' A' ' 82' ' ' VAL . 23.4 mttt -69.06 -32.19 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.847 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.8 p -71.44 -12.51 61.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.362 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 55' ' ' GLN . 17.5 mt -61.88 -19.04 62.22 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.651 0.263 . . . . 0.0 110.928 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.669 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.91 51.57 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.594 -0.813 . . . . 0.0 113.424 178.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.422 ' O ' HG11 ' A' ' 82' ' ' VAL . 0.8 OUTLIER -144.19 138.43 28.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.063 179.384 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.2 t -87.03 135.13 33.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.15 -4.71 45.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.539 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -109.0 -53.13 2.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.705 0.288 . . . . 0.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.14 -171.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.962 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.267 -179.666 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.669 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.1 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.916 0.388 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 16.0 m95 -115.15 148.1 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.37 141.74 48.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.8 t -56.01 132.2 49.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.609 HD23 HG21 ' A' ' 45' ' ' VAL . 8.0 tp -83.15 -19.86 35.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.844 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 13.5 tp10 -53.29 128.31 27.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -60.78 -40.76 93.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.253 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 mmm-85 -77.91 -17.06 57.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.518 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 76' ' ' GLU . 1.4 t -108.41 125.7 52.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.914 0.388 . . . . 0.0 111.289 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.4 p -126.11 70.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -118.39 148.6 42.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.371 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.691 HG22 ' HG2' ' A' ' 56' ' ' LYS . 6.6 t -108.21 129.71 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.621 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -139.41 162.6 26.11 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.868 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 21.2 p -103.45 144.69 31.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.588 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.64 -158.13 17.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.86 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.28 -18.57 50.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.654 0.264 . . . . 0.0 111.346 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -18.2 60.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.232 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -126.28 -78.82 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.651 0.262 . . . . 0.0 111.181 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.0 t -143.16 17.26 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.74 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.81 37.43 24.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.601 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 m -61.98 -36.36 81.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.394 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.498 HG22 ' OE1' ' A' ' 97' ' ' GLN . 5.4 m -70.93 -47.52 58.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.415 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.5 mt -58.1 -49.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.183 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -59.96 -38.12 81.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.932 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -58.08 -43.29 86.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.604 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.498 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -68.01 -48.58 65.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.795 0.331 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -50.57 -48.71 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.902 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.465 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 58.5 p -107.42 17.18 23.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.617 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 51.3 22.39 1.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 99' ' ' THR . 63.9 m170 -82.63 96.2 8.03 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.412 ' HB3' ' HB2' ' A' ' 115' ' ' TYR . 35.7 m-85 -87.95 12.79 12.36 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.86 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.6 mm? -114.1 118.88 35.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.024 0.44 . . . . 0.0 111.22 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.438 HG23 ' CE3' ' A' ' 72' ' ' TRP . 12.3 t -139.11 132.47 30.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.845 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.468 ' HB ' HD13 ' A' ' 75' ' ' LEU . 12.9 p -120.41 123.24 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.242 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.1 p30 -76.45 122.66 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.394 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.55 -17.05 61.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.817 -179.456 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.421 ' HG1' ' N ' ' A' ' 71' ' ' LEU . 23.4 m -82.22 -31.52 30.24 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.649 0.241 . . . . 0.0 111.649 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -12.87 13.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.666 0.27 . . . . 0.0 111.554 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.2 mt 62.75 30.55 16.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.282 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -114.28 139.08 49.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.931 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.2 t -94.42 150.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.422 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 73.7 t-105 -131.98 141.84 49.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.434 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.5 t -115.17 110.12 19.02 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.412 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 20.5 m-85 -69.16 -42.11 76.35 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.641 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.524 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.48 -52.66 64.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.948 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.8 m -69.96 -30.21 67.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.406 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.85 52.75 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.639 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.422 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -174.13 173.29 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.022 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -88.91 136.37 33.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.1 m -127.61 177.56 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 15.1 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 120.753 0.311 . . . . 0.0 110.634 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.84 -43.81 2.38 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.774 2.316 . . . . 0.0 113.102 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.8 m80 -47.12 -55.23 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.357 -179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.839 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.2 pp -75.37 -37.06 60.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.957 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.507 ' N ' HD12 ' A' ' 42' ' ' LEU . 10.7 t70 -54.77 -22.07 13.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.374 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.2 m -83.09 -43.07 16.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.268 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 42' ' ' LEU . 21.9 m -60.05 167.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.299 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -104.46 -122.71 5.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -140.57 155.45 46.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.668 HG21 HD21 ' A' ' 53' ' ' LEU . 4.1 tt -109.86 138.99 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.9 p -83.98 159.84 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.044 0.449 . . . . 0.0 111.307 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -63.61 -33.1 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.816 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.6 tm-20 -58.89 -43.2 90.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.778 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.43 -46.48 54.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.784 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.668 HD21 HG21 ' A' ' 48' ' ' ILE . 18.6 mt -62.15 -31.88 72.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.325 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.7 tt -55.2 -42.26 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 111.109 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -68.62 -42.91 77.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.645 179.766 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' CD ' ' HB1' ' A' ' 73' ' ' ALA . 42.7 mttt -68.05 -32.2 72.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.916 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.5 p -71.86 -12.78 61.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.469 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.19 -19.1 62.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.654 0.264 . . . . 0.0 110.969 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.17 45.2 4.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.709 -0.758 . . . . 0.0 113.07 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -144.4 138.71 27.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.902 0.382 . . . . 0.0 111.006 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.6 t -86.89 143.05 27.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -37.62 53.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.3 -53.08 13.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.4 p -120.61 178.56 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.943 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.99 0.424 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 18.0 m95 -107.05 162.26 14.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.47 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -143.08 142.28 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 t -57.1 131.71 50.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.722 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.553 HD23 HG21 ' A' ' 45' ' ' VAL . 19.6 tp -83.55 -14.57 51.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.873 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 6.9 tp10 -54.77 138.61 41.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.818 0.342 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -66.75 -42.67 85.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -24.17 41.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.159 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -101.05 122.8 44.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.36 . . . . 0.0 111.158 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.6 m -125.04 51.68 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.395 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -96.0 148.62 22.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.327 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 t -105.61 128.65 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.822 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.77 159.41 26.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.719 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.9 p -103.39 143.08 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.78 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.52 -167.7 14.05 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.921 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.87 -19.78 45.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.668 0.27 . . . . 0.0 111.41 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.26 -18.22 60.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.168 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -123.21 -73.18 0.65 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.052 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 89' ' ' VAL . 14.7 t -143.18 15.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.728 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t0 50.76 32.45 7.09 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.911 0.386 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.78 -37.36 65.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.788 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.4 m -58.97 -36.59 75.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.595 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.457 HG22 ' OE1' ' A' ' 97' ' ' GLN . 95.9 m -72.12 -48.84 40.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.518 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.29 -50.85 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.994 0.425 . . . . 0.0 110.276 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -60.4 -36.26 77.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.963 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -59.21 -42.46 91.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.457 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.64 -48.7 53.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -49.48 -48.65 47.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.978 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.438 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.2 p -106.98 12.76 28.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.59 22.19 6.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.661 0.267 . . . . 0.0 111.375 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.8 m170 -86.74 96.33 10.13 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.023 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.769 ' C ' HD22 ' A' ' 103' ' ' LEU . 34.7 m-85 -92.15 26.07 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.453 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.769 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.8 mm? -125.39 117.01 22.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.939 0.4 . . . . 0.0 110.784 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.6 t -137.62 134.59 35.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.8 p -120.15 126.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.948 0.404 . . . . 0.0 111.259 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 9.2 p30 -78.99 123.17 27.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.361 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -72.53 -17.44 61.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.824 -179.555 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 -27.51 32.58 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.36 -10.47 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.7 mt 60.97 29.87 19.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -114.28 136.68 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.525 HG11 HD22 ' A' ' 75' ' ' LEU . 20.4 t -93.3 150.18 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 56.5 t-105 -132.1 145.41 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.014 0.435 . . . . 0.0 111.369 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 24.9 t -116.71 113.05 22.08 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.544 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -69.27 -42.21 75.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.757 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.528 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.15 -52.59 64.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.991 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.1 m -69.76 -30.24 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.537 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.5 m 75.85 53.12 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.629 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.436 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.31 173.75 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.072 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -86.24 139.32 31.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.591 HG21 HD23 ' A' ' 42' ' ' LEU . 11.7 m -136.18 -179.34 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.6 p90 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.54 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 120.736 0.303 . . . . 0.0 110.535 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.65 -45.07 2.56 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.737 2.291 . . . . 0.0 113.059 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.551 ' HB3' HD21 ' A' ' 103' ' ' LEU . 19.4 m80 -46.48 -55.26 7.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.448 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 39' ' ' CYS . 4.0 pp -74.35 -37.32 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.829 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.518 ' N ' HD12 ' A' ' 42' ' ' LEU . 34.8 t0 -57.66 -21.84 42.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.406 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.3 -43.05 15.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.431 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 42' ' ' LEU . 30.9 m -69.22 -178.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.327 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.32 -159.2 10.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.457 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -115.25 148.02 39.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.782 0.325 . . . . 0.0 110.955 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.582 HD11 ' O ' ' A' ' 74' ' ' CYS . 26.0 mt -95.06 148.64 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -77.22 160.02 29.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.65 -31.57 71.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 54' ' ' ILE . 4.9 tt0 -60.64 -44.82 95.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.43 -45.3 60.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.098 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.33 -31.72 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.365 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -53.53 -42.44 49.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -68.62 -41.82 78.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.64 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HD3' HG22 ' A' ' 82' ' ' VAL . 9.7 mttm -69.02 -32.24 71.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.089 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.5 p -73.75 -12.57 60.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.429 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.9 mt -62.28 -19.06 62.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.623 0.249 . . . . 0.0 110.989 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 90.24 45.34 4.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.987 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 78.8 p -144.05 138.5 28.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.953 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.4 t -86.88 137.72 32.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.769 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.584 ' NE2' HG23 ' A' ' 82' ' ' VAL . 42.8 mt-30 -76.37 -28.5 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.95 -52.97 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.7 p -124.4 -166.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.762 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 pttm . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 120.96 0.41 . . . . 0.0 110.741 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.447 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.2 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.897 0.379 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 25.2 m95 -110.94 150.93 28.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' CB ' ' HD2' ' A' ' 56' ' ' LYS . . . -135.13 140.33 45.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.582 ' O ' HD11 ' A' ' 48' ' ' ILE . 16.2 t -55.63 135.61 51.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.946 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.525 HD22 ' CG1' ' A' ' 112' ' ' VAL . 16.8 tp -86.22 -20.27 28.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.544 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.453 ' OE2' HG12 ' A' ' 45' ' ' VAL . 4.9 tp10 -53.45 126.73 22.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.859 0.362 . . . . 0.0 110.994 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -62.11 -35.15 77.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -79.56 -26.17 41.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.8 t -98.1 150.05 21.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.117 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 p -144.23 53.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.353 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -97.58 146.65 25.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.424 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.584 HG23 ' NE2' ' A' ' 62' ' ' GLN . 22.2 t -113.56 114.95 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.614 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -132.33 164.71 23.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.943 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.5 p -103.45 139.19 39.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.982 0.42 . . . . 0.0 110.648 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.61 -169.35 0.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.941 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -65.01 -19.08 65.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.633 0.254 . . . . 0.0 111.298 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -18.6 62.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.166 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.17 -70.97 0.76 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.709 0.29 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.8 t -143.03 18.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.636 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.45 28.61 4.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.772 0.32 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -41.6 66.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 m -59.21 -35.4 73.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.54 HG22 ' OE1' ' A' ' 97' ' ' GLN . 58.8 m -70.51 -52.55 21.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.01 -51.23 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -57.19 -39.99 76.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.035 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.7 t -58.01 -42.75 85.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.673 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.54 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.56 -49.03 52.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.381 . . . . 0.0 110.946 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.46 -48.59 47.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.001 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 46.8 p -107.8 13.67 26.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.711 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 55.51 22.32 5.03 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.639 0.257 . . . . 0.0 111.516 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.7 m170 -85.74 96.17 9.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.654 ' C ' HD22 ' A' ' 103' ' ' LEU . 23.7 m-85 -88.72 16.31 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.742 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.654 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.7 mm? -117.91 117.35 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 111.027 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.5 t -135.95 134.37 38.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.787 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 111' ' ' ARG . 14.9 p -120.21 123.02 69.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.942 0.401 . . . . 0.0 111.218 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.7 p30 -79.21 121.87 25.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.49 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.33 -11.52 60.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.559 -179.716 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -32.22 30.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.464 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.33 -9.37 11.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.601 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 110' ' ' LEU . 13.0 mt 62.0 32.9 17.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.941 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.535 ' O ' HG23 ' A' ' 105' ' ' VAL . 16.9 mmm180 -114.14 154.4 27.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.952 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.525 ' CG1' HD22 ' A' ' 75' ' ' LEU . 21.3 t -106.34 150.11 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -130.38 140.88 50.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.5 t -117.48 110.59 18.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.831 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 50.1 m-85 -69.36 -41.15 76.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.46 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.501 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.71 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 m -69.53 -29.99 67.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.301 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.66 53.9 0.06 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.29 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.96 176.26 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.034 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -87.87 136.12 33.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.792 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.413 HG23 ' HB ' ' A' ' 112' ' ' VAL . 8.7 m -122.47 166.54 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.26 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 30.1 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 120.756 0.313 . . . . 0.0 110.624 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.12 -44.6 3.59 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.707 2.271 . . . . 0.0 113.099 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.527 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 19.2 m80 -47.49 -55.17 9.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.343 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.558 HD21 ' HB3' ' A' ' 39' ' ' CYS . 4.1 pp -73.57 -34.2 65.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.741 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.475 ' N ' HD12 ' A' ' 42' ' ' LEU . 15.6 t70 -58.95 -21.82 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.256 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.21 -43.22 13.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.716 0.293 . . . . 0.0 111.41 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.698 HG21 HD23 ' A' ' 75' ' ' LEU . 34.1 m -71.7 159.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.141 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.21 -135.15 8.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.404 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -140.42 153.96 46.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.695 HD11 ' O ' ' A' ' 74' ' ' CYS . 25.8 mt -92.13 149.16 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.2 p -76.81 159.98 29.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' O ' HG12 ' A' ' 54' ' ' ILE . 9.8 mmtm -59.16 -44.1 92.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -33.93 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.245 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.56 ' HB2' HG22 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -72.36 -49.71 32.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.739 0.305 . . . . 0.0 110.85 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.7 mt -62.35 -31.91 72.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 50' ' ' LYS . 9.3 mm -56.16 -44.89 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.594 ' HA ' HD12 ' A' ' 58' ' ' LEU . 16.2 mt-30 -68.6 -39.81 80.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.567 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.62 ' HE3' HD13 ' A' ' 48' ' ' ILE . 20.6 mttm -67.63 -32.11 72.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.795 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.0 p -69.57 -12.81 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.648 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 55' ' ' GLN . 3.1 mt -62.05 -19.16 62.61 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.905 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.94 49.25 3.86 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.747 -0.739 . . . . 0.0 113.277 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -144.43 138.57 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 0.0 110.977 179.508 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.2 t -86.9 138.53 31.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.788 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -77.08 -28.05 54.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 91' ' ' HIS . 17.1 t0 -81.22 -53.06 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.225 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.9 p -119.03 -174.66 2.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.42 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 59' ' ' GLY . 4.9 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.948 0.404 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 15.7 m95 -111.2 161.32 16.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.136 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.42 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -143.07 139.2 30.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.695 ' O ' HD11 ' A' ' 48' ' ' ILE . 14.0 t -55.24 135.15 49.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.698 HD23 HG21 ' A' ' 45' ' ' VAL . 5.9 tp -89.85 -10.38 45.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.894 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.415 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.1 OUTLIER -55.41 142.78 31.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -67.3 -45.36 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.212 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -20.78 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.415 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.1 t -103.11 128.94 49.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.979 0.419 . . . . 0.0 111.254 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -129.05 41.72 3.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.352 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.98 148.55 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.335 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.424 HG23 ' OE1' ' A' ' 62' ' ' GLN . 11.6 t -109.15 120.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.777 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -129.33 159.76 22.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.778 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.4 p -103.18 138.6 39.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.333 . . . . 0.0 110.774 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.79 -177.05 4.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.917 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.44 -19.04 54.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -19.16 62.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.979 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -120.37 -70.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 89' ' ' VAL . 8.4 t -141.44 14.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.691 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t0 47.51 29.5 1.41 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.918 0.389 . . . . 0.0 111.175 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' A' ' 63' ' ' ASP . 0.9 OUTLIER -55.47 -35.3 65.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.62 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -59.77 -37.73 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.39 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.513 HG22 ' OE1' ' A' ' 97' ' ' GLN . 89.5 m -71.12 -50.31 34.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.604 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.54 -50.72 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.361 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -58.72 -38.39 78.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.111 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 t -58.42 -43.51 88.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.728 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.513 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.52 -48.69 54.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.836 0.351 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -49.16 -48.65 44.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.139 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.472 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 41.6 p -107.87 14.71 25.14 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 55.42 22.16 4.79 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.8 m170 -85.91 96.23 9.73 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.804 ' C ' HD22 ' A' ' 103' ' ' LEU . 24.5 m-85 -91.9 31.21 1.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.58 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.4 mm? -133.14 117.78 17.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.427 HG23 ' CE3' ' A' ' 72' ' ' TRP . 9.0 t -138.27 136.68 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 105' ' ' VAL . 14.8 p -120.22 126.12 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 2.1 p30 -80.07 123.02 27.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.437 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.413 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.36 -17.96 61.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.834 -179.502 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -27.06 33.25 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.07 -5.37 10.51 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.7 mt 56.73 32.32 20.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.807 0.337 . . . . 0.0 111.077 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -114.16 147.42 38.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.5 t -105.05 150.07 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 60.2 t-105 -131.64 142.62 49.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.967 0.413 . . . . 0.0 111.445 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 16.8 t -114.88 112.67 23.1 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.452 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 23.6 m-85 -69.46 -42.06 75.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.667 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.527 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.97 -52.72 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.411 . . . . 0.0 110.901 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.8 m -68.97 -30.09 68.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.236 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 m 75.01 54.41 0.07 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.732 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.418 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.36 -179.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.214 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.75 147.65 25.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.79 165.78 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.0 p90 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.535 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.344 0 CA-C-O 120.719 0.295 . . . . 0.0 110.678 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.51 -44.42 4.57 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.823 2.349 . . . . 0.0 113.103 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.487 ' HB3' HD21 ' A' ' 103' ' ' LEU . 21.2 m80 -46.43 -55.19 7.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.461 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 39' ' ' CYS . 3.9 pp -74.15 -36.45 64.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.495 ' N ' HD12 ' A' ' 42' ' ' LEU . 1.4 m-20 -58.05 -21.96 47.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.358 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -83.75 -43.18 15.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.385 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.766 HG21 HD23 ' A' ' 75' ' ' LEU . 27.4 m -71.69 172.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.302 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.39 -139.38 7.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.5 164.7 29.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.349 . . . . 0.0 110.948 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.669 ' HB ' HD21 ' A' ' 53' ' ' LEU . 22.3 mt -112.93 150.77 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.051 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.4 p -76.82 160.05 29.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -63.11 -29.15 70.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 54' ' ' ILE . 21.0 pt-20 -66.09 -41.78 90.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -45.52 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.012 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.669 HD21 ' HB ' ' A' ' 48' ' ' ILE . 20.7 mt -63.44 -31.86 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.252 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.3 tt -54.23 -42.17 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.129 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.409 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -68.53 -44.66 74.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.58 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.821 ' HD3' HG22 ' A' ' 82' ' ' VAL . 50.9 mttt -66.47 -32.29 73.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.157 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.9 p -72.83 -12.61 61.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.438 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.6 mt -62.12 -19.13 62.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.65 0.262 . . . . 0.0 111.037 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.83 50.49 2.29 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.09 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.406 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 34.0 p -144.17 138.33 28.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -87.02 140.75 29.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.591 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.02 -24.92 52.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.32 -52.96 4.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -116.01 -168.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.985 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.981 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.8 mt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.767 0.317 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.441 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 13.1 m95 -109.37 151.42 26.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.45 ' HB2' HD11 ' A' ' 107' ' ' LEU . . . -129.29 138.51 51.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.982 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -58.58 125.2 22.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.747 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.766 HD23 HG21 ' A' ' 45' ' ' VAL . 5.2 tp -80.02 -16.36 55.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.648 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.39 117.13 2.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.759 0.314 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -55.94 -37.06 68.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -76.67 -21.98 54.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 t -101.94 150.12 23.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 111.099 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.06 68.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.42 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -127.96 148.58 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.29 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.821 HG22 ' HD3' ' A' ' 56' ' ' LYS . 13.0 t -111.84 129.28 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.844 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.38 165.75 24.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.76 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.0 p -103.39 142.01 34.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.828 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.63 -171.96 11.09 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.865 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -20.17 46.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.671 0.272 . . . . 0.0 111.36 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -62.12 -18.81 61.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -68.1 0.92 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 89' ' ' VAL . 9.8 t -147.68 17.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.764 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t0 47.26 31.03 1.61 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.842 0.354 . . . . 0.0 111.18 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -54.39 -37.71 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.744 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.547 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.545 HG22 ' OE1' ' A' ' 97' ' ' GLN . 30.8 m -71.05 -49.92 39.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.584 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -57.8 -50.33 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.386 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -58.87 -38.85 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.059 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 t -58.05 -43.67 87.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.545 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.6 -48.76 53.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.846 0.355 . . . . 0.0 111.031 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -49.71 -48.71 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.106 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.447 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 45.6 p -105.07 11.36 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt 57.94 22.08 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.643 0.258 . . . . 0.0 111.325 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 99' ' ' THR . 55.2 m170 -87.25 96.21 10.25 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.515 ' C ' HD22 ' A' ' 103' ' ' LEU . 21.6 m-85 -87.24 10.71 16.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.924 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.9 mm? -109.79 117.09 32.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.397 . . . . 0.0 110.932 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.6 t -137.55 129.99 29.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.663 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.559 ' HB ' HD13 ' A' ' 75' ' ' LEU . 11.9 p -120.36 120.52 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 111.572 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 5.5 p30 -71.64 120.07 16.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.306 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.32 -14.93 61.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.718 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -82.0 -28.78 32.4 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.93 -8.21 10.29 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 110' ' ' LEU . 10.4 mt 61.44 32.7 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.345 . . . . 0.0 110.708 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -113.96 135.66 53.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.4 t -94.46 150.15 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.274 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.426 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 66.9 t-105 -132.36 143.21 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.0 t -117.72 111.42 19.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.724 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -69.22 -42.12 76.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.596 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.476 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.16 -52.53 65.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.956 0.408 . . . . 0.0 110.826 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.19 -30.21 68.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.337 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.02 51.14 0.06 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.622 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.426 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -173.59 174.27 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.037 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -86.16 145.94 26.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.59 174.43 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.247 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 28.0 p90 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.867 0.365 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -99.75 61.39 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -154.0 157.33 38.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.412 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -77.52 135.77 64.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.704 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -67.97 -46.14 2.58 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.896 2.397 . . . . 0.0 113.093 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 17.0 m80 -45.47 -54.82 6.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.513 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.709 ' HB3' HD11 ' A' ' 103' ' ' LEU . 4.0 pp -74.06 -38.38 63.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.456 ' N ' HD12 ' A' ' 42' ' ' LEU . 58.3 t0 -57.29 -21.79 37.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.431 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.8 p -81.45 -43.05 19.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.797 0.332 . . . . 0.0 111.214 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.612 HG21 HD23 ' A' ' 75' ' ' LEU . 27.5 m -72.03 158.49 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.18 -133.42 8.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -140.58 152.97 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.44 HD11 ' O ' ' A' ' 74' ' ' CYS . 32.7 mt -103.36 148.81 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.8 p -76.93 160.06 29.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -61.04 -32.42 72.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.77 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 54' ' ' ILE . 18.0 mp0 -59.58 -45.45 91.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.43 -40.34 67.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.079 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.652 HD23 ' HE2' ' A' ' 56' ' ' LYS . 20.1 mt -68.44 -31.9 71.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.254 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.6 tp -54.68 -42.5 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.841 0.353 . . . . 0.0 111.221 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 1.3 mm-40 -68.44 -43.97 75.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.741 ' CD ' HG22 ' A' ' 82' ' ' VAL . 1.8 mtmm -67.29 -32.34 73.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.076 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.5 p -73.29 -12.59 60.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.434 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.2 mt -62.24 -19.08 62.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.636 0.255 . . . . 0.0 111.105 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.66 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 91.02 48.9 3.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.024 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.408 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 61.0 p -144.05 138.51 28.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.342 . . . . 0.0 110.954 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.7 t -86.83 136.3 33.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.777 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.558 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -75.23 -17.88 60.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.91 -50.86 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 111.14 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.402 ' SG ' HG13 ' A' ' 66' ' ' VAL . 31.7 p -122.26 -168.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -126.74 78.9 1.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.807 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.402 HG13 ' SG ' ' A' ' 64' ' ' CYS . 9.9 m -100.03 -26.89 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.29 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 65.12 131.83 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.63 -171.04 0.93 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.569 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.24 -167.44 4.8 Favored 'Cis proline' 0 C--N 1.345 0.374 0 C-N-CA 123.181 -1.591 . . . . 0.0 112.361 -0.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.84 76.54 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.771 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.66 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.2 mt -134.1 148.27 50.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 24.7 m95 -116.18 157.24 25.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.243 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB1' ' HD2' ' A' ' 56' ' ' LYS . . . -142.37 138.97 31.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.056 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.44 ' O ' HD11 ' A' ' 48' ' ' ILE . 14.4 t -57.27 128.53 37.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.612 HD23 HG21 ' A' ' 45' ' ' VAL . 5.8 tp -82.7 -17.95 42.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.511 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 112.36 0.9 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -51.7 -32.81 31.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.213 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -80.09 -22.4 42.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.3 t -103.62 149.97 24.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 111.227 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 m -142.02 64.61 1.39 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.594 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.52 148.55 37.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.225 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.741 HG22 ' CD ' ' A' ' 56' ' ' LYS . 21.4 t -114.22 118.9 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.802 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.26 161.18 24.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.795 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 p -103.41 146.79 27.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.303 . . . . 0.0 110.649 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -172.12 25.67 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.128 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -21.12 21.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.709 0.29 . . . . 0.0 111.432 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.4 m -62.2 -17.53 58.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.177 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.74 -72.32 0.66 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 89' ' ' VAL . 15.5 t -141.58 12.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 t0 48.73 30.79 2.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -55.38 -35.67 65.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t -60.53 -36.99 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.508 HG22 ' OE1' ' A' ' 97' ' ' GLN . 87.2 m -70.71 -49.42 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.425 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.9 mt -58.17 -50.94 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.301 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -58.95 -37.3 76.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.133 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 t -59.21 -44.17 92.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.775 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.508 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.56 -48.83 53.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.88 0.371 . . . . 0.0 110.92 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.16 -48.64 53.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.112 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.44 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 42.2 p -104.85 11.85 33.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.8 mttp 57.17 22.02 7.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.635 0.255 . . . . 0.0 111.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.6 m170 -87.79 96.36 10.43 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.728 ' C ' HD22 ' A' ' 103' ' ' LEU . 30.1 m-85 -89.96 22.12 3.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.806 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.2 mm? -121.21 117.23 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.933 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 t -138.15 133.11 32.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.501 HG23 ' C ' ' A' ' 111' ' ' ARG . 14.5 p -120.15 125.44 74.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.281 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.455 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.3 p30 -78.44 123.51 27.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.16 -9.0 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.576 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.99 -40.95 52.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.769 0.319 . . . . 0.0 111.44 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.08 -4.77 10.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.626 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 mt 62.58 40.58 10.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.501 ' C ' HG23 ' A' ' 105' ' ' VAL . 12.7 mmt180 -114.02 142.64 45.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.744 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.771 HG21 HD23 ' A' ' 123' ' ' LEU . 27.1 t -95.49 150.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -133.25 140.45 47.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.9 t -114.33 111.76 22.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -69.27 -42.07 76.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.427 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.443 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.94 -52.42 65.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.936 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.88 -30.04 68.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.371 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.9 p 76.92 46.84 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.779 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.58 178.58 4.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.47 136.58 32.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.31 170.87 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -123.12 142.37 50.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.771 HD23 HG21 ' A' ' 112' ' ' VAL . 3.3 mm? -105.98 116.8 32.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.12 153.54 40.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -90.33 -31.7 16.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -137.52 134.4 35.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.809 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 19.3 mt -102.62 -78.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 100.93 54.14 0.99 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 29.7 m -109.5 -31.72 7.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.769 0.318 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -167.61 170.75 10.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -80.62 171.38 15.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -86.48 134.84 37.18 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.539 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.6 -45.08 2.6 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.794 2.329 . . . . 0.0 113.161 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 15.6 m80 -46.55 -55.17 7.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.368 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.742 ' HB3' HD11 ' A' ' 103' ' ' LEU . 4.0 pp -75.03 -35.44 61.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.909 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -58.64 -21.99 55.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -84.53 -43.18 14.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 111.315 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.778 HG21 HD23 ' A' ' 75' ' ' LEU . 31.4 m -75.33 143.68 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 111.2 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -83.8 -129.52 1.67 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.436 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -139.97 164.56 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.844 HD11 ' O ' ' A' ' 74' ' ' CYS . 32.7 mt -105.18 150.69 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.9 p -80.06 160.06 25.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.716 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -58.59 -42.33 87.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.955 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.638 ' HA ' HD12 ' A' ' 54' ' ' ILE . 3.6 tt0 -58.83 -36.56 74.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.455 ' HB2' HG22 ' A' ' 48' ' ' ILE . 5.3 m-20 -72.34 -41.56 66.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.0 mt -71.67 -31.96 67.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 51' ' ' GLU . 27.4 mt -58.35 -46.85 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.825 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -63.84 -40.79 97.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.999 0.428 . . . . 0.0 110.515 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.782 ' HG2' HG22 ' A' ' 82' ' ' VAL . 5.6 mttp -69.05 -32.22 71.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.96 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -72.16 -12.42 61.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.61 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.19 -19.09 62.75 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.987 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.501 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 90.47 47.88 3.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.626 -0.797 . . . . 0.0 113.303 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.6 p -144.21 138.22 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.434 ' CB ' HG12 ' A' ' 66' ' ' VAL . 38.9 t -87.33 142.57 27.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.576 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.13 -41.75 40.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.47 -53.2 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.1 p -116.08 172.17 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -99.02 73.35 1.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.518 HG21 ' OE1' ' A' ' 88' ' ' GLN . 8.2 p -118.01 149.3 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -95.13 144.12 26.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.01 -137.17 0.21 Allowed Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.522 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.15 -42.93 0.65 Allowed 'Cis proline' 0 C--N 1.347 0.485 0 C-N-CA 123.36 -1.517 . . . . 0.0 112.284 0.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.569 ' N ' HG21 ' A' ' 108' ' ' THR . 1.7 m-20 -44.62 107.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.277 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.501 HD12 ' HA2' ' A' ' 59' ' ' GLY . 8.6 mt -154.28 144.77 22.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.011 0.434 . . . . 0.0 111.154 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.496 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.2 m95 -112.28 147.25 36.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.638 ' HB1' ' HE2' ' A' ' 56' ' ' LYS . . . -128.74 144.43 51.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.01 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.844 ' O ' HD11 ' A' ' 48' ' ' ILE . 27.6 t -56.38 134.21 53.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.779 HD21 HD23 ' A' ' 123' ' ' LEU . 4.6 tp -84.82 -18.25 35.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.727 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.541 ' HG2' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -53.39 128.18 27.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.9 0.381 . . . . 0.0 110.994 -179.827 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -63.1 -37.06 85.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.42 -22.39 41.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.181 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.7 147.77 25.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.915 0.388 . . . . 0.0 111.058 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.47 64.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.422 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -110.8 148.53 32.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.341 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.782 HG22 ' HG2' ' A' ' 56' ' ' LYS . 3.4 t -109.08 129.66 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.832 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.99 161.51 27.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.781 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 p -103.52 142.88 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.662 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.09 -169.96 8.02 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.936 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.64 -19.78 51.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 111.368 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 t -62.2 -18.45 61.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.111 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.518 ' OE1' HG21 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -121.67 -70.29 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.986 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 89' ' ' VAL . 10.5 t -148.02 18.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.665 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 t0 47.53 32.01 2.23 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.938 0.399 . . . . 0.0 111.234 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.3 -35.18 62.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.4 t -58.65 -39.71 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.363 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.601 HG22 ' OE1' ' A' ' 97' ' ' GLN . 89.9 m -70.33 -45.44 66.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.2 mt -57.92 -51.02 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.039 0.447 . . . . 0.0 110.251 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.54 -37.72 79.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 t -57.99 -42.63 85.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.633 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.601 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.61 -48.82 53.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.847 0.356 . . . . 0.0 110.959 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -49.12 -48.68 44.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.119 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.469 ' HG1' ' CE1' ' A' ' 101' ' ' HIS . 47.3 p -106.57 11.79 30.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt 57.71 22.12 8.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.602 0.239 . . . . 0.0 111.274 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.469 ' CE1' ' HG1' ' A' ' 99' ' ' THR . 55.9 m170 -86.85 96.32 10.17 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.706 ' C ' HD22 ' A' ' 103' ' ' LEU . 32.7 m-85 -88.19 22.75 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.1 mm? -124.6 117.5 24.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -135.06 133.33 39.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.835 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 111' ' ' ARG . 12.2 p -120.44 120.02 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.357 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 3.2 p30 -74.73 121.19 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.484 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.22 -13.57 61.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.505 -179.78 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.569 HG21 ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -82.11 -32.02 30.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.603 -179.43 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.402 ' HB ' ' HG2' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -114.17 -9.45 12.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.524 -179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 110' ' ' LEU . 20.1 mt 62.85 30.77 16.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.194 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.502 ' O ' HG23 ' A' ' 105' ' ' VAL . 17.0 mmt180 -114.15 153.34 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.829 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.47 150.06 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 65.0 t-105 -130.62 141.0 50.43 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.974 0.416 . . . . 0.0 111.384 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 15.7 t -112.48 110.0 19.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.413 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 10.1 m-85 -69.22 -40.64 77.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.573 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.486 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.07 -52.64 64.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.942 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.9 m -70.24 -30.13 67.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.46 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.61 49.01 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.656 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.57 164.06 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.936 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -72.73 144.79 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.6 m -136.14 159.32 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.192 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -123.61 127.67 48.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.779 HD23 HD21 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -102.54 161.38 13.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.867 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -143.3 174.34 10.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -31.3 69.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.78 115.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 mt 63.43 -79.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.721 ' O ' HG23 ' A' ' 129' ' ' THR . . . 88.19 65.78 1.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.557 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 128' ' ' GLY . 0.6 OUTLIER -174.11 -40.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.945 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.782 0.325 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.23 -77.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CD2' HD21 ' A' ' 42' ' ' LEU . 13.8 p-80 -135.04 -51.85 0.78 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.07 132.78 23.82 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.555 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 49.3 Cg_endo -68.58 -46.11 2.07 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.846 2.364 . . . . 0.0 113.226 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 12.1 m80 -45.65 -55.18 6.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.497 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.824 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.8 pp -77.25 -32.83 55.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 1.6 m-20 -57.03 -21.8 33.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.182 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.42 -43.18 14.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.322 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.524 HG21 HD23 ' A' ' 75' ' ' LEU . 26.8 m -74.1 136.45 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 111.206 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.49 -120.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.438 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -140.55 153.35 46.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.534 HD13 ' CD2' ' A' ' 53' ' ' LEU . 20.2 tt -102.0 149.06 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -92.69 160.01 15.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -62.91 -29.32 70.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.45 ' O ' HG22 ' A' ' 54' ' ' ILE . 31.2 tt0 -61.06 -46.9 88.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.7 -37.39 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' CD2' HD13 ' A' ' 48' ' ' ILE . 53.2 mt -69.78 -31.85 70.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.305 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.8 tp -54.85 -43.59 68.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 111.274 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.427 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 4.2 mt-30 -68.43 -43.19 77.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.663 ' HD3' HG22 ' A' ' 82' ' ' VAL . 1.8 mttt -69.13 -32.27 71.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.157 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 p -75.62 -12.46 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.717 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 55' ' ' GLN . 20.2 mt -61.91 -18.74 61.31 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.139 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.788 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 91.94 45.0 4.01 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.976 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.621 ' O ' HG11 ' A' ' 82' ' ' VAL . 17.1 p -144.14 138.44 28.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.416 ' HB2' HG22 ' A' ' 66' ' ' VAL . 8.9 t -86.88 138.09 31.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.974 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.1 -26.67 53.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.74 -53.07 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.065 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.0 p -113.98 -176.29 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -110.38 107.23 16.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 61' ' ' CYS . 29.0 m -139.46 -179.39 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -134.27 127.02 30.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.49 -175.52 3.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.354 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.36 -157.03 1.28 Allowed 'Cis proline' 0 C--N 1.347 0.473 0 C-N-CA 123.652 -1.395 . . . . 0.0 112.187 0.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.88 73.85 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.788 HD12 ' HA2' ' A' ' 59' ' ' GLY . 12.8 mt -142.14 158.79 43.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.783 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 31.7 m95 -121.78 155.14 35.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.675 ' HB2' HD11 ' A' ' 107' ' ' LEU . . . -136.21 140.04 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 33.7 t -58.49 134.85 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 103' ' ' LEU . 4.3 tp -87.85 -19.81 26.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.636 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 3.4 tp10 -53.27 117.18 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.955 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -53.08 -39.55 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.347 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -10.9 59.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.449 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 76' ' ' GLU . 2.3 t -114.11 150.1 34.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.976 0.417 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -146.99 60.17 1.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.349 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -107.06 145.69 32.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.453 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.663 HG22 ' HD3' ' A' ' 56' ' ' LYS . 14.9 t -102.86 124.66 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.65 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.58 159.18 24.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.77 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.9 p -103.39 142.05 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 110.718 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.4 -164.56 9.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.952 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -19.84 54.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.723 0.296 . . . . 0.0 111.347 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -16.67 56.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.249 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -125.09 -73.25 0.64 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.61 0.243 . . . . 0.0 111.474 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 89' ' ' VAL . 11.6 t -145.34 17.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.09 31.89 12.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.793 0.33 . . . . 0.0 110.999 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.64 -37.59 65.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.769 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -36.89 75.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.432 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -70.7 -48.3 55.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.444 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.9 mt -59.14 -51.54 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.372 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -58.36 -37.07 74.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.078 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -59.35 -45.71 90.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.763 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -48.78 53.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.872 0.368 . . . . 0.0 111.108 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -48.62 56.68 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.455 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.4 p -101.28 9.11 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt 60.44 22.0 11.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.683 0.278 . . . . 0.0 111.094 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 99' ' ' THR . 49.8 m170 -90.08 96.38 10.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -86.57 10.65 14.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.824 HD11 ' HB3' ' A' ' 42' ' ' LEU . 3.6 mm? -114.49 117.76 31.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.033 0.444 . . . . 0.0 111.239 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.0 t -132.51 135.72 46.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.473 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.5 p -120.39 118.66 57.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.889 0.376 . . . . 0.0 111.491 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 7.4 p30 -69.0 120.12 14.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.418 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -72.16 -7.49 49.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.8 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.89 -41.12 26.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.795 0.331 . . . . 0.0 111.362 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.04 -0.21 11.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.663 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.9 mt 58.93 42.53 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.11 137.92 51.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.1 t -92.5 150.1 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -137.67 143.75 41.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 111.292 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.5 t -111.69 110.52 20.95 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.586 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -69.23 -42.18 76.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.591 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.499 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -62.47 -52.68 62.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 111.185 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.5 m -69.95 -30.19 67.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.3 m 76.09 54.46 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.619 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.95 166.27 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.991 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.57 134.27 35.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.7 m -124.2 -179.57 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -123.44 146.02 48.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 mt -64.05 133.15 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.79 118.27 22.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -30.85 69.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.0 mttt 61.56 -178.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.28 152.48 19.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.16 -29.67 0.36 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.511 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 81.2 p -65.36 -49.04 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.972 0.415 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.811 0.339 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -94.34 -68.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -59.96 -176.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.448 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -90.7 132.96 33.46 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.514 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 43' ' ' ASP . 45.8 Cg_endo -68.05 -44.27 4.01 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.774 2.316 . . . . 0.0 113.108 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.775 ' HB3' HD21 ' A' ' 103' ' ' LEU . 18.0 m80 -46.85 -55.22 8.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.457 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HA ' HG22 ' A' ' 45' ' ' VAL . 4.1 pp -76.78 -31.67 57.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.923 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 23.3 t70 -61.18 -22.13 64.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.946 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -86.07 -43.17 13.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.193 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.773 HG12 ' HG2' ' A' ' 76' ' ' GLU . 36.0 m -74.65 127.12 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.32 -149.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.594 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -114.74 163.33 15.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.79 HG21 HD21 ' A' ' 53' ' ' LEU . 1.6 tt -104.08 142.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -80.62 159.97 25.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.036 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -43.25 97.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.862 ' HA ' HD12 ' A' ' 54' ' ' ILE . 3.6 mt-10 -58.81 -34.15 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.764 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.639 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -72.39 -42.51 65.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.626 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.79 HD21 HG21 ' A' ' 48' ' ' ILE . 24.9 mt -71.6 -31.8 67.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 51' ' ' GLU . 21.2 mt -55.29 -47.04 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.618 ' HA ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -64.56 -40.13 95.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 110.389 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.707 ' HG2' HG22 ' A' ' 82' ' ' VAL . 10.6 mttm -68.95 -32.19 71.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.194 0.521 . . . . 0.0 109.936 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 p -70.77 -12.63 61.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.669 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 55' ' ' GLN . 3.3 mt -61.91 -19.02 62.25 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.936 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.623 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.32 46.37 5.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.198 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.411 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 1.6 m -144.46 138.5 27.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.825 0.345 . . . . 0.0 111.031 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.481 ' CB ' HG12 ' A' ' 66' ' ' VAL . 48.6 t -87.08 140.64 29.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -77.02 -31.32 56.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.318 -179.662 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.443 ' HB3' ' CE1' ' A' ' 91' ' ' HIS . 1.2 t0 -78.72 -53.18 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.273 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.3 p -115.83 -179.95 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.057 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.66 78.4 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.744 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.588 HG21 ' CD ' ' A' ' 88' ' ' GLN . 10.8 p -121.89 138.65 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -95.62 130.21 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 69' ' ' PRO . . . -57.02 -167.4 0.08 OUTLIER Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.411 ' O ' ' HA2' ' A' ' 68' ' ' GLY . 8.5 Cg_exo -72.11 -159.68 1.58 Allowed 'Cis proline' 0 C--N 1.346 0.436 0 C-N-CA 123.642 -1.399 . . . . 0.0 112.342 0.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 66.87 73.51 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.61 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.623 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.1 mt -133.99 144.11 48.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.048 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -114.19 159.01 20.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.992 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.43 140.76 32.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.2 t -56.43 131.19 47.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.775 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.83 HD11 HD11 ' A' ' 123' ' ' LEU . 28.0 tp -81.76 -21.63 37.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.483 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.773 ' HG2' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -53.54 114.46 1.53 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 110.956 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -54.53 -35.5 63.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -76.14 -26.87 56.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -96.56 149.98 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 t -142.71 68.02 1.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.704 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -120.35 144.97 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.056 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.707 HG22 ' HG2' ' A' ' 56' ' ' LYS . 5.6 t -111.11 120.37 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.784 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.35 162.94 24.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.778 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.7 p -103.43 146.48 28.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 0.0 110.741 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.76 -163.0 8.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.943 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 pm0 -60.89 -17.55 51.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.594 0.235 . . . . 0.0 111.477 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.5 m -62.23 -18.98 62.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.687 0.28 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.588 ' CD ' HG21 ' A' ' 66' ' ' VAL . 3.3 mm-40 -122.36 -72.0 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 89' ' ' VAL . 10.5 t -147.87 20.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.485 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 49.26 35.4 7.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.922 0.392 . . . . 0.0 111.177 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 63' ' ' ASP . 2.0 m170 -55.16 -37.24 66.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.705 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -59.57 -36.33 76.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.448 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.515 HG22 ' OE1' ' A' ' 97' ' ' GLN . 90.3 m -71.16 -49.23 46.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.549 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.03 -50.48 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.262 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -59.39 -37.6 78.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.097 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 t -58.82 -43.26 90.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.78 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.515 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.61 -48.8 53.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -49.52 -48.6 48.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.976 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.44 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.8 p -106.55 12.39 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt 57.02 22.13 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.612 0.244 . . . . 0.0 111.461 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 99' ' ' THR . 57.7 m170 -86.64 96.31 10.07 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.747 ' C ' HD22 ' A' ' 103' ' ' LEU . 23.1 m-85 -90.1 21.08 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.766 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 41' ' ' HIS . 2.5 mm? -123.22 116.87 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.1 t -137.88 139.48 39.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 111' ' ' ARG . 14.7 p -120.2 126.27 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.428 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -83.14 120.96 26.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.458 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.512 HD23 HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.21 -10.04 59.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.58 -179.546 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.64 -35.85 52.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.73 0.3 . . . . 0.0 111.308 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.12 -3.9 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.502 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.6 mt 60.39 35.72 20.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.805 0.336 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 105' ' ' VAL . 26.8 mmt180 -114.05 159.34 20.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.613 HG21 ' HG ' ' A' ' 123' ' ' LEU . 21.6 t -111.72 150.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.424 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 76.6 t-105 -130.91 139.34 50.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.8 110.33 18.92 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.639 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 16.3 m-85 -69.15 -42.04 76.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.618 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.511 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.67 -52.55 65.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.975 0.416 . . . . 0.0 110.936 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.1 m -69.21 -30.12 68.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.496 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 p 77.29 47.68 0.06 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.814 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.424 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -171.26 171.32 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.04 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -85.59 143.41 28.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.437 HG11 ' CD2' ' A' ' 42' ' ' LEU . 3.7 m -127.11 164.43 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -116.23 130.97 57.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.83 HD11 HD11 ' A' ' 75' ' ' LEU . 6.0 mt -71.75 152.33 42.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.859 ' HB2' HD11 ' A' ' 127' ' ' LEU . 9.1 p-10 -91.05 114.17 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -93.74 -41.06 9.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.981 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.693 ' C ' HD12 ' A' ' 127' ' ' LEU . 17.2 mtmm -157.25 -45.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.859 HD11 ' HB2' ' A' ' 124' ' ' ASP . 2.1 mp 69.68 -66.74 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -121.44 -74.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.65 -45.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.846 0.355 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.91 156.13 36.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -160.07 169.57 23.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.433 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -73.72 137.1 77.0 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.591 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 52.2 Cg_endo -68.84 -45.68 2.04 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.761 2.308 . . . . 0.0 113.1 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.4 m80 -46.43 -55.12 7.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.786 0.327 . . . . 0.0 111.41 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.9 pp -74.06 -36.28 64.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.847 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 1.0 OUTLIER -59.86 -21.91 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.247 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 p -82.64 -43.18 17.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.245 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 42' ' ' LEU . 27.6 m -71.89 170.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.367 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.64 -139.28 8.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.461 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -140.35 150.32 43.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.543 ' HB ' HD21 ' A' ' 53' ' ' LEU . 31.8 mt -96.79 152.7 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 p -81.32 159.96 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -30.46 70.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 54' ' ' ILE . 3.8 mt-10 -64.73 -41.94 95.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.44 -44.18 62.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.058 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.543 HD21 ' HB ' ' A' ' 48' ' ' ILE . 31.5 mt -65.06 -31.85 73.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -53.87 -42.48 53.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 111.141 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.402 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 4.6 mt-30 -67.93 -42.22 81.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.653 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.795 ' HD3' HG22 ' A' ' 82' ' ' VAL . 28.7 mttm -68.87 -32.28 71.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.92 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.7 p -72.03 -12.33 61.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.623 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 58' ' ' LEU . 18.3 mt -61.98 -19.06 62.39 Favored 'General case' 0 CA--C 1.528 0.098 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.988 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.79 47.03 2.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.606 -0.806 . . . . 0.0 113.41 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.405 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 16.7 p -144.18 137.96 27.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.448 ' CB ' HG12 ' A' ' 66' ' ' VAL . 43.8 t -87.37 141.77 28.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.45 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.26 -34.33 55.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.441 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -75.09 -53.14 9.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.462 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.3 p -126.64 -176.58 3.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.108 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -97.22 121.42 39.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.589 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.706 HG21 ' HG3' ' A' ' 88' ' ' GLN . 12.0 p -161.47 138.76 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.253 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -89.89 116.18 27.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.713 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.02 -132.0 0.03 OUTLIER Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.582 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.801 ' HB2' HG23 ' A' ' 108' ' ' THR . 51.0 Cg_endo -68.58 -26.25 6.91 Favored 'Cis proline' 0 C--N 1.348 0.522 0 C-N-CA 123.47 -1.471 . . . . 0.0 112.392 0.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.488 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 13.2 m120 -45.72 93.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.297 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' CD1' ' N ' ' A' ' 60' ' ' THR . 6.0 mt -146.64 145.2 29.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.8 m95 -109.58 141.76 41.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.56 144.41 49.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.488 ' O ' HD11 ' A' ' 48' ' ' ILE . 19.3 t -56.76 137.04 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.821 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.531 HD22 HG11 ' A' ' 112' ' ' VAL . 26.8 tp -87.09 -16.17 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.921 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.5 OUTLIER -53.34 135.67 38.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.829 0.347 . . . . 0.0 110.939 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -64.86 -37.75 88.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -25.41 27.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.298 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.7 t -98.37 130.01 45.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.133 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -132.96 62.32 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.421 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -105.06 148.57 26.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.286 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.795 HG22 ' HD3' ' A' ' 56' ' ' LYS . 7.3 t -108.79 119.8 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.712 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -131.31 162.86 23.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.751 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.9 p -103.42 148.66 25.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.765 0.316 . . . . 0.0 110.621 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.78 -159.55 24.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.837 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -19.01 26.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.538 0.208 . . . . 0.0 111.452 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.3 t -62.09 -18.06 59.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.255 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.706 ' HG3' HG21 ' A' ' 66' ' ' VAL . 4.3 mm-40 -126.89 -77.49 0.58 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.751 0.31 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 89' ' ' VAL . 11.1 t -142.59 16.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.608 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.64 37.1 19.05 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.94 0.4 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -54.71 -37.75 66.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.715 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -59.18 -36.67 75.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.581 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 88.0 m -71.26 -53.06 15.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.573 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -56.11 -48.86 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.333 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -59.87 -38.09 81.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.0 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.2 t -58.04 -43.85 87.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.807 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 93' ' ' THR . 0.6 OUTLIER -70.84 -48.66 52.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.88 0.371 . . . . 0.0 111.176 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -48.61 53.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.339 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.4 p -102.62 10.08 38.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.86 21.93 10.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.727 0.299 . . . . 0.0 111.269 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 99' ' ' THR . 49.5 m170 -89.75 96.12 10.55 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.762 ' C ' HD22 ' A' ' 103' ' ' LEU . 35.8 m-85 -89.73 21.79 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.762 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.8 mm? -122.48 116.4 23.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.928 0.394 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 t -133.65 129.32 36.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.694 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' A' ' 112' ' ' VAL . 11.3 p -120.37 123.89 71.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.933 0.397 . . . . 0.0 111.473 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.494 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 6.9 p30 -76.75 124.11 27.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.382 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.51 -15.99 61.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.729 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.801 HG23 ' HB2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -82.33 -34.3 28.59 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.218 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.01 -11.09 14.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.1 mt 62.14 30.98 17.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -114.14 138.58 50.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.57 HG21 HD23 ' A' ' 123' ' ' LEU . 22.0 t -99.22 150.13 5.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.302 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.411 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 70.4 t-105 -129.57 139.31 51.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.8 t -110.68 109.22 19.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.666 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -69.3 -41.47 76.71 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.657 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.473 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.83 -52.63 64.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.8 m -70.37 -30.12 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.03 51.19 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.544 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.411 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -170.81 -177.89 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.024 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -93.51 144.81 25.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.6 m -136.78 161.22 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -123.49 128.51 49.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.57 HD23 HG21 ' A' ' 112' ' ' VAL . 4.2 mm? -89.86 125.44 35.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -130.1 169.62 15.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.3 -36.68 4.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.58 32.28 1.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 23.1 mt -129.98 163.21 26.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -172.55 -81.9 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.82 -31.82 11.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.343 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.856 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.819 0.342 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -73.65 152.38 40.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -136.88 143.01 42.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.496 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.67 132.92 91.52 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.691 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.83 -44.04 8.58 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.757 2.304 . . . . 0.0 113.248 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 20.5 m80 -47.57 -55.41 9.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.391 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.536 ' O ' HG22 ' A' ' 45' ' ' VAL . 3.9 pp -73.23 -33.82 65.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 0.0 110.969 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 28.0 t0 -55.42 -21.86 17.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.322 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -83.77 -43.1 15.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.689 0.281 . . . . 0.0 111.284 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 42' ' ' LEU . 21.4 m -69.09 146.87 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.109 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.97 -123.44 0.83 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.43 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -139.06 162.41 35.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.571 HG21 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -102.26 137.49 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 p -76.83 159.94 29.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.33 -45.48 94.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.715 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.85 ' HA ' HD12 ' A' ' 54' ' ' ILE . 2.2 tt0 -58.74 -32.85 69.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.551 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -72.39 -42.43 65.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.59 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.571 HD21 HG21 ' A' ' 48' ' ' ILE . 20.9 mt -71.71 -31.98 67.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 51' ' ' GLU . 23.8 mt -57.9 -45.6 87.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.812 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.591 ' HA ' HD12 ' A' ' 58' ' ' LEU . 2.1 tp60 -66.44 -41.35 89.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.621 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.883 ' HG2' HG22 ' A' ' 82' ' ' VAL . 13.1 mttm -69.01 -32.23 71.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.065 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.7 p -71.82 -12.82 61.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.423 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 55' ' ' GLN . 16.1 mt -62.29 -19.07 62.89 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.603 0.24 . . . . 0.0 110.999 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.689 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 88.5 45.0 5.09 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.986 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.5 p -144.09 138.72 28.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.972 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.508 ' HB2' HG22 ' A' ' 66' ' ' VAL . 31.5 t -86.8 143.01 27.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.517 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.11 -30.05 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.149 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.58 -53.15 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.189 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.3 p -120.73 -169.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.92 108.58 17.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 66' ' ' VAL . 27.9 m -146.5 115.23 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -72.48 128.71 36.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.83 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.75 -176.53 0.22 Allowed Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.394 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.45 -156.45 1.2 Allowed 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 123.683 -1.382 . . . . 0.0 112.314 0.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 66.11 71.53 0.41 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.774 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.689 HD12 ' HA2' ' A' ' 59' ' ' GLY . 4.8 mt -137.62 143.49 41.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.5 ' CE3' HG23 ' A' ' 104' ' ' THR . 30.8 m95 -112.96 160.74 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.632 ' HB1' ' NZ ' ' A' ' 56' ' ' LYS . . . -143.14 140.84 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.3 t -58.52 133.69 56.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.67 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.615 HD11 ' CD2' ' A' ' 123' ' ' LEU . 19.5 tp -84.49 -17.4 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.897 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.2 OUTLIER -54.41 133.0 45.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 0.0 110.892 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -65.29 -40.77 94.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.003 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -79.14 -16.01 57.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.281 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.401 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.7 t -109.22 123.94 50.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.897 0.379 . . . . 0.0 111.276 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.54 57.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.437 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -104.66 147.81 27.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.404 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.883 HG22 ' HG2' ' A' ' 56' ' ' LYS . 3.0 t -105.03 128.5 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.793 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.84 159.12 26.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.1 p -103.43 135.44 45.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.784 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.16 -159.89 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.815 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.43 -16.41 62.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.66 0.267 . . . . 0.0 111.491 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -62.33 -17.81 59.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.38 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -125.21 -78.13 0.6 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.629 0.252 . . . . 0.0 111.341 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 89' ' ' VAL . 5.9 t -136.96 18.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.746 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.13 30.44 9.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.737 0.303 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -54.22 -38.66 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 m -59.21 -36.17 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.659 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.484 HG23 ' CE2' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -71.18 -51.0 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.648 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.33 -49.59 79.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.308 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -59.07 -39.13 81.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.141 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -58.01 -43.75 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.778 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.424 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.79 -48.74 52.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.876 0.37 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -50.26 -48.7 54.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.116 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.447 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 45.7 p -103.71 10.75 36.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.1 mttm 58.23 22.04 8.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.701 0.286 . . . . 0.0 111.29 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 99' ' ' THR . 54.7 m170 -87.85 96.38 10.45 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.807 ' C ' HD22 ' A' ' 103' ' ' LEU . 24.4 m-85 -91.56 30.0 1.4 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.655 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.807 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.6 mm? -136.09 117.99 15.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.5 HG23 ' CE3' ' A' ' 72' ' ' TRP . 8.0 t -135.79 144.32 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 105' ' ' VAL . 13.5 p -120.17 122.91 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.326 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 3.0 p30 -82.47 121.54 26.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.72 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.31 -9.7 58.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.54 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.1 m -75.74 -43.02 48.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 111.28 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.05 3.46 11.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 110' ' ' LEU . 14.7 mt 55.94 38.27 29.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.793 0.33 . . . . 0.0 111.231 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -114.01 151.68 32.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.532 HG11 HD22 ' A' ' 75' ' ' LEU . 17.9 t -106.57 150.24 9.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 69.3 t-105 -129.59 140.09 51.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.447 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.2 t -114.07 111.27 21.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.352 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.484 ' CE2' HG23 ' A' ' 93' ' ' THR . 23.2 m-85 -69.18 -41.14 77.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.629 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.467 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.18 -52.62 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 111.015 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 m -69.63 -30.26 67.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.506 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 77.39 51.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.676 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.55 171.76 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.909 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 113' ' ' TRP . 2.5 pp20? -85.89 133.08 33.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.461 HG21 HD23 ' A' ' 42' ' ' LEU . 4.2 m -120.72 165.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -123.57 136.04 54.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 123' ' ' LEU . 1.2 pp -112.09 152.49 28.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.41 160.84 28.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -105.0 -30.44 9.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.2 tttm 62.55 148.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.579 HD12 ' H ' ' A' ' 127' ' ' LEU . 4.6 mp -61.84 145.72 51.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 109.47 56.57 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.79 -31.39 9.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -129.5 126.11 37.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -127.55 -179.82 5.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.468 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -96.65 135.28 22.36 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.21 -45.59 3.7 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.794 2.33 . . . . 0.0 113.193 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.533 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.5 m80 -46.49 -55.15 7.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.457 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.715 ' HB3' HD11 ' A' ' 103' ' ' LEU . 4.0 pp -75.23 -32.88 61.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.888 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -57.83 -22.04 45.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.078 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.33 -43.17 11.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.6 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' A' ' 42' ' ' LEU . 34.4 m -72.72 136.0 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.887 0.375 . . . . 0.0 111.067 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.94 -149.56 8.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -119.77 165.22 14.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.916 0.389 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.617 HD13 ' HZ1' ' A' ' 56' ' ' LYS . 28.3 mt -107.28 150.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 p -78.28 160.01 28.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -61.24 -32.93 72.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -61.2 -43.56 98.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -38.87 67.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.025 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.519 HD23 ' HD2' ' A' ' 56' ' ' LYS . 18.4 mt -71.73 -31.95 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.431 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -55.43 -43.8 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.78 0.324 . . . . 0.0 111.04 -179.737 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -68.6 -39.14 81.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.558 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.865 ' HG2' HG22 ' A' ' 82' ' ' VAL . 48.4 mttt -67.98 -32.38 72.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.184 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.9 p -71.82 -12.9 61.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.401 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.53 -19.1 63.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.642 0.258 . . . . 0.0 111.069 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.683 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 84.78 49.05 4.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 113.043 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.416 ' O ' HG11 ' A' ' 82' ' ' VAL . 74.0 p -144.26 138.45 27.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 111.004 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.3 t -86.91 137.65 32.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -77.16 -31.5 55.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.64 -53.07 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.224 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.484 ' SG ' HG13 ' A' ' 66' ' ' VAL . 29.4 p -126.24 -169.17 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.955 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -118.95 76.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.788 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.484 HG13 ' SG ' ' A' ' 64' ' ' CYS . 6.9 m -105.44 -28.62 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 61.72 149.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.1 -164.45 17.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.425 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.82 -166.38 3.27 Favored 'Cis proline' 0 C--N 1.346 0.433 0 C-N-CA 123.423 -1.49 . . . . 0.0 112.248 0.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.0 m120 64.97 61.44 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.683 HD12 ' HA2' ' A' ' 59' ' ' GLY . 7.0 mt -112.46 141.23 46.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.813 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.424 ' CE3' HG23 ' A' ' 104' ' ' THR . 61.7 m95 -114.96 120.64 40.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 107' ' ' LEU . . . -107.48 144.06 34.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.608 ' O ' HD11 ' A' ' 48' ' ' ILE . 13.3 t -58.93 144.13 45.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.763 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 123' ' ' LEU . 11.1 tp -95.82 -15.53 22.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.933 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.4 133.83 40.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.906 0.384 . . . . 0.0 110.968 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -60.38 -40.55 91.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.036 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -85.06 -15.55 43.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.457 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.68 119.92 40.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 111.435 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -124.26 43.35 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.44 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -79.69 148.59 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.372 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.865 HG22 ' HG2' ' A' ' 56' ' ' LYS . 4.5 t -105.99 122.93 60.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.739 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.01 166.55 24.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.77 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.7 p -107.62 140.71 40.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 110.68 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.34 -176.24 10.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.99 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.41 ' CG ' ' HB3' ' A' ' 90' ' ' ASP . 1.2 tt0 -58.15 -21.87 48.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.653 0.264 . . . . 0.0 111.263 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.31 -18.24 60.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.181 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -120.43 -66.27 1.07 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.221 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.0 t -148.6 20.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.661 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.41 ' HB3' ' CG ' ' A' ' 86' ' ' GLU . 5.5 p-10 43.85 30.4 0.39 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.77 0.319 . . . . 0.0 111.52 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -36.91 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.392 . . . . 0.0 110.684 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.3 t -61.5 -35.56 78.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.454 HG22 ' OE1' ' A' ' 97' ' ' GLN . 4.0 m -71.09 -52.37 19.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.63 -49.36 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.246 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -58.64 -39.19 79.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.07 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.2 t -58.48 -42.76 88.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.62 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.454 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.59 -48.96 52.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.927 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.1 -48.59 53.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.053 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.471 ' HG1' ' CE1' ' A' ' 101' ' ' HIS . 54.1 p -104.78 10.78 34.45 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp 58.05 22.01 8.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.582 0.23 . . . . 0.0 111.383 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.471 ' CE1' ' HG1' ' A' ' 99' ' ' THR . 52.3 m170 -87.06 96.2 10.21 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.56 ' O ' HD22 ' A' ' 103' ' ' LEU . 30.2 m-85 -89.22 19.02 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.916 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.715 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.5 mm? -125.26 119.51 28.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.043 0.449 . . . . 0.0 111.236 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.424 HG23 ' CE3' ' A' ' 72' ' ' TRP . 5.6 t -134.12 141.86 47.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.753 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.5 p -120.36 113.19 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.265 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -69.43 120.44 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.499 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -72.24 -8.55 55.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.555 -179.665 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -76.59 -42.99 40.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.273 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.08 2.51 11.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.617 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.3 mt 58.85 32.93 22.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.795 0.331 . . . . 0.0 111.072 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -105.92 149.33 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.6 t -105.92 150.03 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.212 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 57.1 t-105 -131.92 143.59 50.24 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.8 t -114.53 112.81 23.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.679 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -69.43 -42.14 75.39 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.45 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.533 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.8 -52.72 63.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.813 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.3 m -68.97 -30.16 68.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.205 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 74.52 55.06 0.08 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.589 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.431 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -173.64 -178.88 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.61 142.0 28.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.48 161.93 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.184 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -121.37 131.57 54.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 75' ' ' LEU . 5.0 mt -67.65 150.44 48.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.63 120.75 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -97.48 -31.25 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -68.33 107.58 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.52 -178.38 7.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.01 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.2 -41.2 0.54 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.562 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.74 -30.8 21.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.777 0.322 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.866 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.761 0.315 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -105.85 -66.13 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.519 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -94.22 -179.79 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.524 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -84.5 133.62 44.09 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.699 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 41.8 Cg_endo -67.32 -45.59 3.59 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.828 2.352 . . . . 0.0 113.11 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.547 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 15.6 m80 -46.63 -55.3 7.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.493 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.588 ' HA ' HG22 ' A' ' 45' ' ' VAL . 4.2 pp -74.79 -32.86 62.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.905 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.455 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 1.3 m-20 -57.42 -22.06 40.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.203 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -87.01 -43.21 12.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.399 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.754 HG21 HD23 ' A' ' 75' ' ' LEU . 35.0 m -75.38 135.91 26.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.869 0.366 . . . . 0.0 111.271 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.93 -123.7 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.589 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -140.62 164.09 31.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 111.069 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.94 HG21 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -99.45 139.02 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.867 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 p -76.84 159.87 29.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -62.65 -42.79 99.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.621 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.848 ' HA ' HD12 ' A' ' 54' ' ' ILE . 78.9 mt-10 -58.84 -32.82 69.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -72.35 -50.25 28.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 179.689 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.94 HD21 HG21 ' A' ' 48' ' ' ILE . 99.2 mt -63.82 -31.98 73.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 51' ' ' GLU . 22.1 mt -53.9 -44.18 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.07 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -40.06 80.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.618 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CD ' ' HB1' ' A' ' 73' ' ' ALA . 15.5 mttt -68.98 -32.2 71.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.923 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -70.82 -12.69 61.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.448 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.4 mt -62.17 -19.05 62.68 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.974 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.01 41.69 5.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.199 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.6 p -144.14 138.36 28.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.34 . . . . 0.0 110.945 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.445 ' CB ' HG12 ' A' ' 66' ' ' VAL . 49.3 t -87.14 140.52 29.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -77.09 -32.18 56.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -74.94 -53.05 9.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.0 p -122.52 175.68 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.55 82.78 3.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.458 HG21 ' CD ' ' A' ' 88' ' ' GLN . 7.8 p -126.36 144.65 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.97 145.59 25.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.38 -145.31 1.0 Allowed Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.406 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.26 -42.3 0.82 Allowed 'Cis proline' 0 C--N 1.347 0.475 0 C-N-CA 123.365 -1.515 . . . . 0.0 112.367 0.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.532 ' N ' HG21 ' A' ' 108' ' ' THR . 15.9 m-20 -43.03 109.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.441 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mt -156.97 143.26 18.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.064 0.459 . . . . 0.0 111.224 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 37.6 m95 -105.52 159.32 16.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.427 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -142.88 144.66 32.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.0 t -61.43 132.7 54.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.531 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.754 HD23 HG21 ' A' ' 45' ' ' VAL . 6.2 tp -85.04 -17.35 37.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.71 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.617 ' HG2' HG12 ' A' ' 45' ' ' VAL . 2.1 tm-20 -53.41 125.41 17.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -60.71 -37.42 81.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -20.02 46.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.195 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.402 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.8 t -104.05 150.0 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.069 0.461 . . . . 0.0 111.286 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.6 m -145.49 59.7 1.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.209 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.24 142.21 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.401 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.0 t -104.8 119.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.61 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.0 162.09 25.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.091 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.9 p -103.42 148.43 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.685 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.1 -169.21 31.13 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.053 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.45 -21.79 39.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 111.299 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.4 m -62.23 -17.2 57.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.31 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' CD ' HG21 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -124.99 -70.72 0.74 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.228 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 89' ' ' VAL . 13.4 t -146.83 16.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 t0 47.4 33.49 2.78 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.943 0.401 . . . . 0.0 111.25 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -55.45 -35.56 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.614 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -60.74 -36.57 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.543 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.454 HG22 ' OE1' ' A' ' 97' ' ' GLN . 88.0 m -71.43 -48.9 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.422 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.524 HG22 ' OE1' ' A' ' 98' ' ' GLU . 3.7 mt -58.15 -51.51 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.957 0.408 . . . . 0.0 110.367 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.11 -35.9 76.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.014 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -59.67 -42.26 92.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.825 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.454 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.75 -48.83 52.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.829 0.347 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.524 ' OE1' HG22 ' A' ' 94' ' ' ILE . 1.7 mt-10 -50.32 -48.67 55.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.076 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 52.1 p -103.59 10.45 36.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm 58.05 22.14 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 111.289 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 99' ' ' THR . 54.7 m170 -87.32 96.5 10.37 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.808 ' C ' HD22 ' A' ' 103' ' ' LEU . 30.2 m-85 -91.53 29.89 1.41 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.562 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.808 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.2 mm? -132.55 117.35 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 0.0 110.863 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.7 t -135.29 137.54 42.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 111' ' ' ARG . 11.9 p -120.41 125.35 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 9.7 p30 -81.19 123.54 28.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.52 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.716 HD23 HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.29 -16.88 61.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.44 -179.797 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.532 HG21 ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -82.13 -27.09 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.753 -179.2 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.93 -10.26 11.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.603 0.24 . . . . 0.0 111.583 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 110' ' ' LEU . 15.8 mt 60.77 29.61 19.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.792 0.329 . . . . 0.0 111.051 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.612 ' O ' HG23 ' A' ' 105' ' ' VAL . 22.3 mtt180 -114.07 158.33 21.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.484 HG21 HD23 ' A' ' 123' ' ' LEU . 6.0 t -110.82 150.18 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 69.0 t-105 -131.1 140.37 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.967 0.413 . . . . 0.0 111.39 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.0 t -113.09 112.33 23.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -69.24 -42.06 76.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.602 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.547 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.96 -52.61 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 111.106 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.8 m -69.93 -30.05 67.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.419 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.26 52.0 0.05 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.768 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.3 OUTLIER -176.51 170.16 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.85 136.33 34.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.785 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 42' ' ' LEU . 4.1 m -126.1 168.89 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -123.62 133.86 53.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.579 HD21 HD21 ' A' ' 75' ' ' LEU . 3.3 mm? -83.39 145.44 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -162.95 120.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -38.15 7.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -149.48 135.86 19.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.2 mt -90.9 143.58 26.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -162.02 -53.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.424 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.6 m -141.23 -66.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.912 0.387 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.781 0.324 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -114.67 151.9 32.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.414 ' NE2' ' CZ ' ' A' ' 122' ' ' PHE . 2.3 t-160 -72.25 170.87 13.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.496 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -77.86 133.43 65.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.485 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.13 -44.24 2.64 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.776 2.317 . . . . 0.0 113.088 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.769 ' HB3' HD21 ' A' ' 103' ' ' LEU . 18.5 m80 -46.44 -55.17 7.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.457 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 43' ' ' ASP . 4.1 pp -75.82 -36.45 59.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.527 ' N ' HD12 ' A' ' 42' ' ' LEU . 24.7 t0 -59.66 -22.09 61.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.3 p -85.21 -43.04 14.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 111.311 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 42' ' ' LEU . 34.2 m -76.14 156.92 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.215 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.03 155.38 16.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.33 157.04 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.594 HD11 ' O ' ' A' ' 74' ' ' CYS . 31.7 mt -100.1 148.78 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.1 p -76.93 160.54 29.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -61.92 -30.2 70.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' O ' HG22 ' A' ' 54' ' ' ILE . 3.9 tp10 -62.3 -46.86 86.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.67 -35.77 67.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.709 HD23 ' HD2' ' A' ' 56' ' ' LYS . 20.4 mt -71.42 -31.81 67.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.6 tp -53.36 -42.39 47.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.414 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 1.2 mp0 -68.55 -40.79 80.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.518 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.709 ' HD2' HD23 ' A' ' 53' ' ' LEU . 30.9 mttm -69.15 -32.24 71.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.074 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 p -72.58 -12.76 61.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.585 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.22 -19.11 62.82 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.695 0.283 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.551 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.43 50.99 3.42 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.984 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.9 p -144.25 138.56 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.0 t -86.95 142.7 27.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.773 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.512 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.05 -28.06 54.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.23 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -89.38 -52.16 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.106 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.697 ' SG ' HG13 ' A' ' 66' ' ' VAL . 23.9 p -118.56 -164.26 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.52 70.01 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.882 0.372 . . . . 0.0 110.746 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.697 HG13 ' SG ' ' A' ' 64' ' ' CYS . 27.8 m -88.27 -20.71 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.478 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 64.16 134.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.75 -171.22 10.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.559 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -71.93 -163.97 2.87 Favored 'Cis proline' 0 C--N 1.346 0.439 0 C-N-CA 123.532 -1.445 . . . . 0.0 112.334 0.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.94 71.82 0.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.702 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.551 HD12 ' HA2' ' A' ' 59' ' ' GLY . 9.8 mt -136.37 141.76 43.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.993 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 24.5 m95 -107.47 159.08 16.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.554 ' HB1' ' HD3' ' A' ' 56' ' ' LYS . . . -140.34 143.3 35.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.594 ' O ' HD11 ' A' ' 48' ' ' ILE . 21.2 t -58.69 133.05 55.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.709 HD21 HD21 ' A' ' 123' ' ' LEU . 24.7 tp -83.49 -20.2 34.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.503 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.3 OUTLIER -53.34 119.9 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 110.993 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.05 -35.25 71.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -78.59 -28.07 45.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 2.7 t -94.3 149.31 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 p -142.3 50.34 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.565 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -99.32 146.29 26.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.211 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.642 HG22 ' HG2' ' A' ' 56' ' ' LYS . 11.1 t -112.47 128.83 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.712 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.33 164.4 26.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.786 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.0 p -103.45 140.45 37.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.655 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.96 -171.16 2.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.845 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -17.04 62.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.65 0.262 . . . . 0.0 111.315 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -18.74 62.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.063 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.36 -70.85 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.069 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 89' ' ' VAL . 14.7 t -143.76 16.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.644 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.46 32.5 3.36 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.917 0.389 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -37.18 65.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.655 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -36.37 78.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.586 HG22 ' OE1' ' A' ' 97' ' ' GLN . 85.8 m -70.15 -49.53 49.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.34 -49.59 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.304 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -58.57 -39.23 79.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.997 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.7 t -58.39 -41.7 85.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.691 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.586 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.51 -48.76 54.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.905 0.383 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.32 -48.61 55.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.907 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.474 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 58.8 p -108.43 17.67 21.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.538 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 99' ' ' THR . 6.9 ptpt 50.93 23.32 1.42 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 99' ' ' THR . 63.9 m170 -83.65 95.95 8.53 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.64 ' C ' HD22 ' A' ' 103' ' ' LEU . 17.8 m-85 -88.44 14.07 10.49 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 41' ' ' HIS . 2.5 mm? -116.54 117.17 29.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.809 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.418 HG23 ' HB3' ' A' ' 113' ' ' TRP . 5.0 t -136.64 138.96 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.2 p -120.89 125.37 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.352 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 2.7 p30 -81.19 121.81 26.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.651 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.32 -11.48 60.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.659 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -40.2 22.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.743 0.306 . . . . 0.0 111.724 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.31 -6.79 14.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.715 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 110' ' ' LEU . 14.7 mt 60.5 35.16 20.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -114.08 149.73 35.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 1.089 HG21 HD23 ' A' ' 123' ' ' LEU . 26.9 t -102.49 150.17 6.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.223 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 75.8 t-105 -131.22 141.16 49.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.5 t -118.07 108.91 15.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.694 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 54.5 m-85 -69.23 -39.76 78.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.457 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.475 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.86 -52.71 63.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.98 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.7 m -69.11 -30.07 68.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.452 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 m 77.83 50.43 0.04 OUTLIER 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.57 174.81 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.954 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.78 142.83 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.41 ' HB ' HD22 ' A' ' 42' ' ' LEU . 9.1 m -127.79 178.11 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.414 ' CZ ' ' NE2' ' A' ' 38' ' ' HIS . 18.4 p90 -122.57 159.48 27.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.089 HD23 HG21 ' A' ' 112' ' ' VAL . 0.4 OUTLIER -103.88 158.77 16.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.7 153.61 31.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.29 -31.33 7.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.28 120.53 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 13.3 mt -77.69 92.4 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -74.4 -65.24 2.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.9 m -148.95 -46.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.831 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.891 0.377 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -85.96 74.02 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 59.53 -171.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.509 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -96.78 132.9 25.2 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.536 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.38 -43.05 3.23 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.688 2.259 . . . . 0.0 113.169 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.558 ' HB3' HD21 ' A' ' 103' ' ' LEU . 19.2 m80 -47.51 -55.14 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.282 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 39' ' ' CYS . 4.0 pp -75.35 -36.03 61.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.881 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.493 ' N ' HD12 ' A' ' 42' ' ' LEU . 27.8 t70 -56.33 -21.99 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -85.97 -43.1 13.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.293 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.471 HG21 HD23 ' A' ' 75' ' ' LEU . 13.4 m -69.91 155.34 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 111.267 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.18 -130.82 3.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.451 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.638 ' HG3' HD13 ' A' ' 123' ' ' LEU . 1.7 tt0 -140.58 153.18 46.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.335 . . . . 0.0 110.954 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.477 HG21 ' CD2' ' A' ' 53' ' ' LEU . 28.8 mm -91.59 142.64 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.4 p -78.96 160.07 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.758 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' HG12 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -59.61 -47.45 85.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.795 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.86 -31.26 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.23 -51.0 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.477 ' CD2' HG21 ' A' ' 48' ' ' ILE . 40.9 mt -62.75 -32.46 73.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 50' ' ' LYS . 14.8 mm -55.81 -44.0 76.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -47.65 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.373 . . . . 0.0 110.731 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.915 ' HG2' HG22 ' A' ' 82' ' ' VAL . 3.5 mttt -64.59 -32.18 73.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 p -72.4 -12.44 61.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.529 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.06 -19.0 62.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.641 0.258 . . . . 0.0 111.021 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.733 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 88.95 45.89 4.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.378 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.411 ' N ' HD11 ' A' ' 71' ' ' LEU . 69.2 p -144.23 138.16 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.97 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.4 t -87.12 138.84 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.783 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.11 -27.71 54.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -53.04 5.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.218 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.736 ' SG ' HG13 ' A' ' 66' ' ' VAL . 28.6 p -121.12 -165.73 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 66.25 1.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.808 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.736 HG13 ' SG ' ' A' ' 64' ' ' CYS . 30.7 m -94.0 -27.04 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.255 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.401 ' O ' ' NE2' ' A' ' 88' ' ' GLN . 1.1 mt-30 62.54 151.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.65 -161.39 15.36 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.05 -167.07 3.64 Favored 'Cis proline' 0 C--N 1.346 0.396 0 C-N-CA 123.237 -1.568 . . . . 0.0 112.342 0.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.6 m120 66.01 68.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.736 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.733 HD12 ' HA2' ' A' ' 59' ' ' GLY . 4.9 mt -116.73 141.78 47.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.988 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -117.16 133.73 55.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.029 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.428 ' HB1' ' NZ ' ' A' ' 56' ' ' LYS . . . -118.86 145.69 45.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.001 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.6 t -57.22 140.16 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.714 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.524 HD22 ' CG1' ' A' ' 112' ' ' VAL . 15.1 tp -90.59 -15.51 30.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.836 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 7.2 tp10 -53.47 142.8 21.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.712 0.291 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -70.51 -38.35 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -26.51 27.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.445 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.5 t -96.19 135.6 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.952 0.406 . . . . 0.0 111.172 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.15 48.63 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.232 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -84.36 148.32 26.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.411 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.915 HG22 ' HG2' ' A' ' 56' ' ' LYS . 18.9 t -111.52 116.49 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.655 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -132.82 167.59 23.19 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.914 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 p -107.02 144.49 33.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.52 -173.62 13.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.933 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -20.69 47.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.59 0.233 . . . . 0.0 111.259 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.24 -19.03 62.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.047 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 67' ' ' GLN . 3.9 mm-40 -120.81 -67.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.955 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 89' ' ' VAL . 14.0 t -148.98 17.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.778 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t0 46.76 30.93 1.28 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.897 0.379 . . . . 0.0 111.167 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.23 -38.33 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.708 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -36.93 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.525 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.423 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 26.8 m -70.22 -52.7 21.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.52 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.5 -47.76 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.385 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.96 -38.87 83.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.087 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 93' ' ' THR . 10.2 t -57.98 -43.67 86.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.758 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 93' ' ' THR . 0.7 OUTLIER -70.84 -48.71 52.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.931 0.396 . . . . 0.0 111.076 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -48.6 55.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.193 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.441 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.2 p -103.32 10.41 37.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.2 mttm 59.17 21.87 10.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.65 0.262 . . . . 0.0 111.263 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 99' ' ' THR . 52.8 m170 -89.37 96.15 10.59 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.75 ' C ' HD22 ' A' ' 103' ' ' LEU . 29.3 m-85 -89.71 22.78 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.679 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.75 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.0 mm? -124.03 117.17 24.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.919 0.39 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.6 t -138.02 135.88 36.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.675 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 105' ' ' VAL . 14.0 p -120.16 121.57 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.354 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -76.28 120.82 22.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.432 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.48 HD11 ' HB3' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.27 -8.28 53.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.791 -179.663 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 m -81.1 -34.54 32.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.715 0.293 . . . . 0.0 111.261 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.61 -8.1 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.567 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 mt 63.66 33.36 13.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 0.0 110.976 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.1 138.79 49.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.524 ' CG1' HD22 ' A' ' 75' ' ' LEU . 21.2 t -93.91 150.23 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.412 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 65.1 t-105 -131.6 142.42 49.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.337 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.3 t -114.74 111.94 22.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.63 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -69.3 -42.05 75.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.53 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.492 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.66 -52.49 64.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.965 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.3 -30.1 69.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.462 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.7 p 77.15 47.71 0.06 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.412 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -171.89 173.06 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.958 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -83.36 148.34 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.974 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 m -136.14 169.35 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -123.58 136.67 54.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.638 HD13 ' HG3' ' A' ' 47' ' ' GLU . 4.1 mt -60.71 146.9 44.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -101.25 148.53 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.22 -32.97 65.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -75.48 154.84 36.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.98 169.81 17.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -116.22 -33.22 1.52 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.87 -73.76 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.969 0.414 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.853 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.839 0.352 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -145.44 166.8 24.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.422 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -160.49 177.74 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -87.57 132.94 39.23 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.468 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HA ' ' HB3' ' A' ' 43' ' ' ASP . 48.8 Cg_endo -68.42 -44.01 3.74 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.686 2.257 . . . . 0.0 113.185 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.642 ' HB3' HD21 ' A' ' 103' ' ' LEU . 17.4 m80 -47.26 -55.16 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.686 0.279 . . . . 0.0 111.331 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.512 ' HA ' HG22 ' A' ' 45' ' ' VAL . 4.1 pp -75.98 -32.51 59.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.95 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.44 ' N ' HD12 ' A' ' 42' ' ' LEU . 35.4 t70 -62.3 -22.16 65.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.235 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.0 p -85.18 -43.3 13.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.197 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.782 HG21 HD23 ' A' ' 75' ' ' LEU . 27.1 m -70.71 126.11 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 111.169 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.63 -171.88 0.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.44 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.12 145.09 26.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.431 HD13 ' CD2' ' A' ' 53' ' ' LEU . 8.3 tt -87.92 146.7 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -88.67 160.1 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -59.58 -44.54 93.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.856 ' HA ' HD12 ' A' ' 54' ' ' ILE . 6.0 mm-40 -58.77 -33.09 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.775 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -72.31 -43.5 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.752 179.809 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 48' ' ' ILE . 28.3 mt -70.9 -32.04 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.041 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 51' ' ' GLU . 22.7 mt -55.15 -41.77 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.11 -47.88 75.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 110.525 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.85 ' HG2' HG22 ' A' ' 82' ' ' VAL . 4.1 mttp -65.86 -32.18 73.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.857 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 p -71.48 -12.44 61.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.533 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.96 -19.07 62.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.94 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.629 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 89.85 44.35 4.84 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.3 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.5 p -144.15 138.19 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.014 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.7 t -87.25 144.36 26.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.794 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.556 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.13 -34.09 56.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.233 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -81.31 -53.17 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.199 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.409 ' SG ' HG23 ' A' ' 66' ' ' VAL . 29.5 p -121.2 -165.24 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.73 103.44 12.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.409 HG23 ' SG ' ' A' ' 64' ' ' CYS . 19.1 t -129.19 111.23 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -77.56 125.44 29.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.02 168.42 3.96 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.562 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.85 -159.51 1.96 Allowed 'Cis proline' 0 C--N 1.346 0.436 0 C-N-CA 123.645 -1.398 . . . . 0.0 112.241 0.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.428 ' H ' HG23 ' A' ' 108' ' ' THR . 14.5 m-80 69.12 78.33 0.21 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.629 HD12 ' HA2' ' A' ' 59' ' ' GLY . 8.9 mt -152.64 144.55 23.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.538 ' CE3' HG23 ' A' ' 104' ' ' THR . 19.6 m95 -114.19 160.03 19.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.832 ' HB1' ' CE ' ' A' ' 56' ' ' LYS . . . -142.99 141.05 31.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.35 132.69 51.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.781 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.782 HD23 HG21 ' A' ' 45' ' ' VAL . 5.2 tp -84.63 -15.12 46.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.625 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.635 ' CD ' HG12 ' A' ' 45' ' ' VAL . 9.3 tp10 -56.42 134.07 53.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -65.94 -40.09 91.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.35 -24.52 50.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 76' ' ' GLU . 1.5 t -100.06 134.25 43.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 111.166 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 t -127.89 39.85 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.375 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -87.82 148.55 24.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.286 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.85 HG22 ' HG2' ' A' ' 56' ' ' LYS . 5.7 t -113.85 129.53 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.677 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -142.99 161.33 27.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.882 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.7 p -103.52 142.63 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.706 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.66 -164.94 6.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.065 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.86 -18.83 47.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.595 0.236 . . . . 0.0 111.468 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -62.13 -18.18 60.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.727 0.298 . . . . 0.0 111.145 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -122.89 -73.12 0.66 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 89' ' ' VAL . 13.9 t -144.35 17.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.642 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.1 t0 52.63 32.06 11.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.41 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -54.68 -37.12 65.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.671 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.404 ' HG ' ' HG1' ' A' ' 104' ' ' THR . 0.2 OUTLIER -59.61 -36.79 77.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.565 179.625 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.484 HG22 ' OE1' ' A' ' 97' ' ' GLN . 92.1 m -71.27 -49.84 38.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.499 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.16 -50.61 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.258 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -59.33 -37.78 78.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.071 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.2 t -58.73 -42.9 89.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.727 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.484 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.64 -48.89 52.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.841 0.353 . . . . 0.0 110.933 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.05 -48.68 52.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.06 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.442 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 49.0 p -105.24 11.91 32.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mttp 56.99 22.17 6.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.685 0.278 . . . . 0.0 111.285 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.1 m170 -87.51 96.39 10.38 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.803 ' C ' HD22 ' A' ' 103' ' ' LEU . 21.9 m-85 -90.84 29.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.67 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.803 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.4 mm? -132.26 117.19 17.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.853 0.358 . . . . 0.0 111.016 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.538 HG23 ' CE3' ' A' ' 72' ' ' TRP . 15.3 t -134.16 139.15 45.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.739 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.6 p -120.17 120.62 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 0.0 111.285 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.4 ' HB3' ' CE2' ' A' ' 72' ' ' TRP . 7.7 p30 -80.87 119.69 23.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.585 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -72.09 -11.91 60.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.55 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -68.42 -45.34 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.163 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.06 -0.08 11.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.548 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.7 mt 62.27 40.97 10.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.809 0.338 . . . . 0.0 111.092 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.14 148.28 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.54 HG21 HD23 ' A' ' 123' ' ' LEU . 19.8 t -105.09 150.13 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.034 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 73.7 t-105 -131.39 140.09 49.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 111.298 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.5 t -115.03 110.86 20.23 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.556 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 41.6 m-85 -69.24 -42.06 76.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.554 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.506 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.77 -52.54 65.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.907 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.7 m -69.25 -30.19 68.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.327 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 m 76.19 51.93 0.06 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.718 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.431 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.61 178.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -85.38 149.48 25.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.7 m -138.89 164.75 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -123.64 148.5 46.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.623 HD21 HD21 ' A' ' 75' ' ' LEU . 1.9 mm? -98.75 150.35 21.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -108.32 113.26 26.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -109.38 -33.43 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.8 117.08 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.9 mt -127.56 22.86 6.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 54.21 46.11 72.0 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.708 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.79 -79.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.826 0.346 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.94 -53.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -89.55 177.18 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.527 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -98.91 132.86 22.9 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.548 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.03 -45.4 3.02 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.714 2.276 . . . . 0.0 113.132 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 13.8 m80 -45.8 -54.98 7.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.482 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.68 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.2 pp -73.45 -39.11 65.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.601 ' N ' HD12 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -56.82 -21.73 31.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.394 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 t -80.87 -43.09 20.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.745 0.307 . . . . 0.0 111.157 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 42' ' ' LEU . 35.4 m -66.39 157.13 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.153 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.23 -129.02 2.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -140.57 157.98 44.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.332 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.521 HG21 HD21 ' A' ' 53' ' ' LEU . 1.8 tt -110.25 144.6 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 p -94.2 159.91 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.999 0.428 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -29.56 70.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -58.93 -46.79 87.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.811 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -72.55 -44.65 61.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.521 HD21 HG21 ' A' ' 48' ' ' ILE . 14.3 mt -59.5 -31.79 69.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.389 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -57.66 -44.29 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.35 . . . . 0.0 111.039 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 2.8 tm0? -69.02 -40.9 78.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HE3' HD11 ' A' ' 48' ' ' ILE . 29.5 mttm -69.05 -32.45 71.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.947 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -70.76 -12.49 61.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.382 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.89 -19.07 62.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.708 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.696 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 88.7 51.32 3.09 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.42 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.7 p -144.18 138.34 28.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.922 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.4 t -87.24 138.17 31.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.816 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -30.06 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.136 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -78.47 -53.07 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.183 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.0 p -125.25 -174.4 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.032 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 112.64 24.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.737 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.472 HG22 ' OE1' ' A' ' 88' ' ' GLN . 37.8 t -153.74 123.49 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' A' ' 59' ' ' GLY . 6.8 mt-30 -95.55 102.82 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.96 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.58 -177.6 0.01 OUTLIER Glycine 0 CA--C 1.52 0.403 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.853 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -93.02 -70.66 0.0 OUTLIER 'Cis proline' 0 N--CA 1.455 -0.788 0 C-N-CA 123.911 -1.287 . . . . 0.0 112.375 -0.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -68.14 106.94 2.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.696 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.0 mt -114.03 141.31 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -109.24 145.43 35.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.92 136.59 47.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.82 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.75 131.99 48.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.955 0.407 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 123' ' ' LEU . 11.5 tp -84.71 -14.15 49.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.797 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.83 134.91 48.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.791 0.329 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -65.93 -38.49 88.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.075 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -19.36 37.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.314 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -106.02 125.13 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 111.168 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -123.12 43.37 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -90.18 148.11 23.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.269 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.6 t -114.27 127.66 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.85 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -135.15 165.56 24.63 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.809 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.6 p -103.34 144.68 31.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.708 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.5 -163.32 5.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.88 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -13.42 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.544 0.211 . . . . 0.0 111.529 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -17.57 58.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.187 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.472 ' OE1' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -128.4 -76.82 0.56 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.597 0.237 . . . . 0.0 111.214 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 89' ' ' VAL . 13.0 t -135.81 14.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.864 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 t0 50.87 37.19 16.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.891 0.377 . . . . 0.0 110.833 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -54.34 -36.58 63.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.707 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -37.5 81.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.563 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.48 HG22 ' OE1' ' A' ' 97' ' ' GLN . 87.1 m -70.83 -52.57 19.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.744 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.17 -49.82 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.012 0.434 . . . . 0.0 110.392 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -58.2 -39.49 79.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.174 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 t -58.24 -44.48 88.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.832 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.48 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.2 OUTLIER -70.75 -48.9 51.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.897 0.38 . . . . 0.0 111.071 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.42 -48.62 56.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.214 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 41.5 p -103.62 11.65 35.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 57.83 21.99 8.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.795 0.331 . . . . 0.0 111.274 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 99' ' ' THR . 58.2 m170 -88.38 96.35 10.56 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.756 ' C ' HD22 ' A' ' 103' ' ' LEU . 26.4 m-85 -90.79 22.77 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.674 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.756 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.8 mm? -123.01 117.01 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.911 0.386 . . . . 0.0 110.788 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.4 t -139.04 132.43 30.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.487 ' HB ' HD13 ' A' ' 75' ' ' LEU . 12.3 p -120.19 122.49 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 111.391 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -78.45 126.35 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.212 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.6 -34.66 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.714 -179.382 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.03 -30.74 70.03 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.98 -15.79 14.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.658 0.266 . . . . 0.0 111.518 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 110' ' ' LEU . 13.3 mt 62.39 28.22 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.298 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 105' ' ' VAL . 3.0 mtt85 -114.34 150.71 34.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.029 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 t -104.28 146.09 12.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.443 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 71.7 t-105 -127.38 142.54 51.4 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 111.57 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 25.5 t -118.17 111.34 18.71 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.442 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -69.29 -42.06 75.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.709 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.473 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -58.39 -52.63 64.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.986 0.422 . . . . 0.0 110.715 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.5 m -69.81 -30.05 67.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.057 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.2 m 74.67 51.78 0.09 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.719 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.443 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 1.9 ptmt -176.53 178.26 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.406 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.47 147.51 30.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.649 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.3 m -147.0 166.6 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.931 0.396 . . . . 0.0 111.293 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -123.68 144.53 49.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.843 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.571 ' CD2' HD21 ' A' ' 75' ' ' LEU . 4.6 pp -114.03 154.96 26.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.982 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.434 ' O ' HD12 ' A' ' 123' ' ' LEU . 0.9 OUTLIER -68.73 161.12 29.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -29.53 9.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.048 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -142.68 145.95 33.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.84 77.35 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.694 ' O ' HG23 ' A' ' 129' ' ' THR . . . -117.92 30.67 6.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.406 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 128' ' ' GLY . 0.7 OUTLIER -170.75 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.948 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.935 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.814 0.34 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -111.06 85.14 2.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -141.72 162.79 34.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.509 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -82.88 133.55 48.49 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.584 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 56.5 Cg_endo -70.12 -42.47 3.0 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.74 2.294 . . . . 0.0 113.141 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.537 ' HB3' HD21 ' A' ' 103' ' ' LEU . 21.3 m80 -48.34 -55.34 10.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.341 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.626 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.1 pp -75.66 -36.12 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.008 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.491 ' N ' HD12 ' A' ' 42' ' ' LEU . 11.5 m-20 -55.05 -21.93 14.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.524 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.34 -43.02 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 111.388 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 42' ' ' LEU . 20.7 m -67.24 -176.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.398 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.54 -136.04 4.54 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.402 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -140.58 154.75 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.331 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.533 ' HB ' HD21 ' A' ' 53' ' ' LEU . 29.8 mt -105.25 150.55 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.7 p -76.76 160.1 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.66 -32.46 72.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.775 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' O ' HG22 ' A' ' 54' ' ' ILE . 9.7 tp10 -61.7 -42.8 99.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -43.94 62.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.109 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.533 HD21 ' HB ' ' A' ' 48' ' ' ILE . 34.3 mt -65.89 -32.0 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.407 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -55.67 -41.76 66.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.838 0.351 . . . . 0.0 111.103 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.406 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 39.6 mt-30 -66.95 -42.67 84.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.569 ' CD ' HG22 ' A' ' 82' ' ' VAL . 14.7 mttt -69.05 -32.31 71.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.235 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.9 p -74.51 -12.68 60.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.523 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.26 -19.13 62.9 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.716 0.294 . . . . 0.0 111.091 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.536 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 92.77 45.74 3.58 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.966 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.0 p -144.04 138.58 28.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 111.013 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.435 ' HB2' HG22 ' A' ' 66' ' ' VAL . 9.4 t -86.87 139.98 30.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.03 -30.0 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.95 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.68 -53.07 5.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -114.27 -172.6 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.034 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -116.61 104.3 11.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 61' ' ' CYS . 15.5 m -136.04 -179.72 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -124.21 119.03 28.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.79 -138.15 0.01 OUTLIER Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.354 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.98 -36.55 1.93 Allowed 'Cis proline' 0 C--N 1.347 0.496 0 C-N-CA 123.617 -1.41 . . . . 0.0 112.272 0.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.57 ' N ' HG21 ' A' ' 108' ' ' THR . 0.4 OUTLIER -43.62 112.96 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.454 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.536 HD12 ' HA2' ' A' ' 59' ' ' GLY . 10.1 mt -159.11 145.32 16.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.426 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.4 m95 -115.4 143.32 45.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.155 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.66 145.34 49.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.809 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.0 t -57.4 131.86 51.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.817 HD11 HD22 ' A' ' 123' ' ' LEU . 13.0 tp -78.43 -23.98 46.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.595 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.8 tp10 -53.54 120.03 5.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 110.954 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -57.08 -35.93 69.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.201 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -78.91 -21.23 47.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.8 t -104.7 122.82 46.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.207 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.42 73.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.461 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -121.3 142.79 49.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.414 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.569 HG22 ' CD ' ' A' ' 56' ' ' LYS . 9.6 t -106.35 120.55 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.632 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -130.85 167.55 22.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.853 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.4 p -107.91 147.48 30.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.907 0.384 . . . . 0.0 110.718 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.83 -169.16 35.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.948 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -56.05 -20.95 19.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.642 0.258 . . . . 0.0 111.526 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -62.17 -18.24 60.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.82 -70.62 0.74 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.022 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.9 t -146.54 16.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.82 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.28 33.12 2.43 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.997 0.427 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -54.37 -34.22 60.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.686 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -39.67 87.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.688 HG23 ' CE2' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -69.93 -48.77 57.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.521 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.31 -49.38 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.281 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.415 ' HA ' ' HG2' ' A' ' 98' ' ' GLU . 8.0 t60 -58.97 -37.07 75.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.113 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 t -61.45 -41.84 97.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.226 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.83 -49.76 42.79 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.861 -179.253 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.512 ' HG3' HG23 ' A' ' 99' ' ' THR . 26.5 pt-20 -55.24 -48.11 74.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 98' ' ' GLU . 49.4 p -97.17 9.43 42.18 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp 55.51 22.3 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.681 0.277 . . . . 0.0 111.227 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 99' ' ' THR . 61.3 m170 -87.46 96.17 10.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.037 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.795 ' C ' HD22 ' A' ' 103' ' ' LEU . 21.0 m-85 -88.99 27.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.763 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.795 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.9 mm? -128.0 116.56 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.424 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.9 t -136.29 131.69 34.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.592 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.517 ' HB ' HD13 ' A' ' 75' ' ' LEU . 12.0 p -120.16 119.3 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.406 . . . . 0.0 111.382 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 3.6 p30 -73.83 120.47 19.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.419 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.32 -13.56 61.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.584 -179.621 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.57 HG21 ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -82.11 -30.43 31.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.683 -179.546 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.33 -8.96 11.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.583 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.5 mt 61.77 30.47 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 111.024 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -114.17 140.77 48.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.427 HG21 ' HB2' ' A' ' 123' ' ' LEU . 28.7 t -97.38 150.16 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.229 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 71.3 t-105 -131.0 141.68 50.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.6 t -117.74 112.52 20.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.608 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.688 ' CE2' HG23 ' A' ' 93' ' ' THR . 42.7 m-85 -69.23 -42.1 76.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.641 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.507 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.87 -52.54 65.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.933 0.397 . . . . 0.0 110.977 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.8 m -68.97 -30.17 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 m 76.45 52.18 0.05 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.686 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.42 177.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.057 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -88.53 146.44 25.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.405 HG21 ' CD2' ' A' ' 42' ' ' LEU . 7.7 m -134.69 172.07 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.16 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -119.04 135.08 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.817 HD22 HD11 ' A' ' 75' ' ' LEU . 42.7 tp -100.18 156.83 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.25 122.64 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.78 -33.46 6.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -86.59 101.83 13.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 mt -124.11 164.39 19.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.35 -34.18 33.26 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.4 m -89.11 -31.59 17.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.97 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.752 0.31 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -91.28 69.89 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.44 -168.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.515 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -110.68 137.07 20.67 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.62 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 43' ' ' ASP . 46.1 Cg_endo -68.01 -44.47 3.87 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.735 2.29 . . . . 0.0 113.19 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.653 ' HB3' HD21 ' A' ' 103' ' ' LEU . 23.4 m80 -47.5 -55.51 8.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 111.292 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.606 ' HA ' HG22 ' A' ' 45' ' ' VAL . 3.8 pp -75.16 -31.51 61.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.912 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 29.3 t70 -60.51 -22.05 63.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.064 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.59 -43.27 12.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.242 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.675 HG21 HD23 ' A' ' 75' ' ' LEU . 27.0 m -73.01 125.25 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.76 -151.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.515 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -121.12 147.07 46.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 0.0 111.057 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.644 HD11 ' HB3' ' A' ' 52' ' ' ASP . 16.9 tt -83.59 144.61 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.8 p -81.36 159.82 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.95 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -32.53 74.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.824 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -61.7 -41.82 98.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.034 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.644 ' HB3' HD11 ' A' ' 48' ' ' ILE . 1.7 m-20 -72.48 -46.64 53.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.694 HD22 HD23 ' A' ' 107' ' ' LEU . 56.4 mt -62.95 -31.93 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.359 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.4 tp -55.77 -42.59 70.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 111.092 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 32.3 tt0 -68.63 -47.24 67.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.604 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.523 ' HD3' HG22 ' A' ' 82' ' ' VAL . 45.2 mttt -63.96 -32.24 73.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.91 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 p -70.03 -12.82 61.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.502 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 19.7 mt -62.4 -19.06 63.04 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.703 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 89.6 45.98 4.44 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.257 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.404 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 69.3 p -144.19 138.64 28.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 37.1 t -86.86 137.96 31.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.817 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -77.19 -34.25 56.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.66 -53.07 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.33 -174.91 3.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.87 105.63 16.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.728 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.8 t -149.06 124.34 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.115 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' GLY . 1.7 mm100 -92.14 102.96 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.806 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.34 -174.58 0.02 OUTLIER Glycine 0 CA--C 1.521 0.463 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.787 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -93.27 -69.6 0.0 OUTLIER 'Cis proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.934 -1.277 . . . . 0.0 112.309 0.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -66.47 93.34 0.23 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.059 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.703 HD12 ' HA2' ' A' ' 59' ' ' GLY . 3.6 mt -101.81 140.27 36.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 31.3 m95 -111.06 149.01 31.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -135.98 142.05 44.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.0 t -56.83 135.31 55.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.796 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.675 HD23 HG21 ' A' ' 45' ' ' VAL . 15.9 tp -85.43 -15.85 41.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.693 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.471 ' HG2' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -56.2 129.21 39.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.768 0.318 . . . . 0.0 110.844 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -62.61 -36.56 83.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.206 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -83.87 -20.6 32.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.341 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.9 t -103.26 127.56 50.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 111.195 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -127.8 69.44 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.44 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -112.97 146.78 38.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.263 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.523 HG22 ' HD3' ' A' ' 56' ' ' LYS . 14.8 t -109.34 120.99 61.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.822 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.09 163.81 25.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.818 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.2 p -103.28 135.47 44.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 110.684 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.33 -165.02 0.61 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.777 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -65.2 -14.72 61.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.626 0.25 . . . . 0.0 111.396 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.9 m -62.32 -18.58 61.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.165 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.47 -78.86 0.6 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.688 0.28 . . . . 0.0 111.251 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.9 t -131.08 17.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.706 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 50.88 30.76 5.44 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -53.4 -40.19 64.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 m -59.04 -36.52 75.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.605 HG22 ' OE1' ' A' ' 97' ' ' GLN . 29.5 m -69.56 -51.57 34.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.673 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -56.03 -51.44 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.512 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -57.58 -39.5 76.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.198 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 t -58.02 -43.43 86.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.798 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.605 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.2 OUTLIER -70.81 -48.76 52.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.869 0.366 . . . . 0.0 110.913 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.6 -48.67 48.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.051 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.436 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.5 p -105.83 12.05 31.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 mttt 57.28 22.01 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 111.305 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 99' ' ' THR . 58.6 m170 -86.85 96.34 10.18 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.788 ' C ' HD22 ' A' ' 103' ' ' LEU . 19.3 m-85 -90.19 25.76 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.635 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.788 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.0 mm? -128.53 117.52 21.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 0.0 111.059 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.6 t -137.04 136.08 38.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.778 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 105' ' ' VAL . 14.6 p -120.26 122.34 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.342 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.3 p30 -77.72 124.34 27.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.249 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.694 HD23 HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.51 -21.24 61.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.954 -179.293 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m -78.43 -26.97 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.94 -9.41 10.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.605 0.241 . . . . 0.0 111.644 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.0 mt 59.11 30.76 20.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.302 . . . . 0.0 111.074 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -114.19 143.96 43.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.983 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.489 HG21 HD23 ' A' ' 123' ' ' LEU . 21.4 t -100.43 150.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.297 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -129.93 142.16 50.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 t -116.9 112.23 20.75 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.779 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.42 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 45.1 m-85 -69.36 -42.04 75.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.537 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.533 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.49 -52.47 65.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.071 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.5 m -69.05 -30.02 68.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.345 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.2 m 76.83 54.4 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.714 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.81 -179.89 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -92.88 137.78 32.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.416 HG23 ' HB ' ' A' ' 112' ' ' VAL . 5.3 m -122.42 162.56 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -119.29 137.62 53.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.538 HD21 HD21 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -95.68 148.11 22.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -102.3 135.75 43.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.85 -37.94 12.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? 58.06 36.25 25.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 70.2 mt -114.28 147.54 38.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -82.83 -89.07 0.7 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 28.3 m -163.14 -43.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.92 0.39 . . . . 0.0 111.047 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.859 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.827 0.346 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -103.01 147.65 26.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -91.27 -168.81 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.67 134.6 19.58 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.639 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 48.6 Cg_endo -68.26 -44.91 3.12 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.816 2.344 . . . . 0.0 113.101 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 15.6 m80 -46.96 -55.24 8.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.41 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.9 pp -75.31 -34.1 61.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.031 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.46 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 3.0 m-20 -57.23 -21.99 37.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.253 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m -85.61 -43.17 13.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.587 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.663 HG21 HD23 ' A' ' 75' ' ' LEU . 35.5 m -70.11 162.39 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 111.305 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.17 -130.69 6.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -140.53 165.53 27.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.699 HG21 HD21 ' A' ' 53' ' ' LEU . 15.9 tt -107.24 141.22 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.015 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.8 p -77.16 159.98 29.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' O ' HG12 ' A' ' 54' ' ' ILE . 3.7 tttp -60.0 -45.64 92.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.778 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -37.94 76.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.571 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -66.68 -41.02 88.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.464 179.586 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.726 HD22 HD23 ' A' ' 107' ' ' LEU . 85.1 mt -71.84 -31.77 66.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 54' ' ' ILE . 10.6 mm -54.71 -46.88 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.868 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.553 ' OE1' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -66.47 -40.43 89.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.481 179.77 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.624 ' HG2' HG22 ' A' ' 82' ' ' VAL . 17.3 mttp -68.95 -32.3 71.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.984 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.3 p -71.68 -12.34 61.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.436 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.553 HD12 ' OE1' ' A' ' 55' ' ' GLN . 18.7 mt -61.85 -19.05 62.18 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.715 0.293 . . . . 0.0 110.964 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.51 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 91.81 46.02 3.78 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.551 -0.833 . . . . 0.0 113.457 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.414 HG22 ' OE1' ' A' ' 67' ' ' GLN . 23.3 p -144.18 137.78 27.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' CB ' HG12 ' A' ' 66' ' ' VAL . 49.0 t -87.45 143.66 27.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.668 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.458 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.14 -42.24 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.88 -53.09 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.22 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.3 p -127.2 -176.93 3.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.99 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -102.46 32.66 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.631 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 88' ' ' GLN . 7.5 p -57.82 -31.75 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.351 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' OE1' HG22 ' A' ' 60' ' ' THR . 0.0 OUTLIER 61.98 159.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.886 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.36 -165.77 38.66 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -71.75 -161.74 2.13 Favored 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 123.478 -1.467 . . . . 0.0 112.255 0.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 60.8 59.92 2.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.591 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.51 HD12 ' HA2' ' A' ' 59' ' ' GLY . 7.3 mt -109.44 151.27 26.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.1 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.456 ' CE3' HG23 ' A' ' 104' ' ' THR . 25.2 m95 -126.15 145.84 50.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.435 ' HB1' ' CE ' ' A' ' 56' ' ' LYS . . . -128.97 141.02 51.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.09 133.03 55.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.659 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.663 HD23 HG21 ' A' ' 45' ' ' VAL . 5.7 tp -89.07 -10.14 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.963 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.7 OUTLIER -53.89 142.79 23.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.826 0.346 . . . . 0.0 110.935 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -69.26 -43.38 74.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -80.86 -22.52 39.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.182 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.0 OUTLIER -101.15 150.03 23.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.928 0.394 . . . . 0.0 111.224 -179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.8 m -150.54 43.93 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.394 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -87.29 148.56 25.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.292 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.624 HG22 ' HG2' ' A' ' 56' ' ' LYS . 2.7 t -108.93 122.3 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.68 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.88 164.05 24.45 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.796 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.446 ' SG ' HG11 ' A' ' 66' ' ' VAL . 4.6 p -103.38 139.18 39.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.699 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.69 -175.74 4.68 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.857 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.95 -20.31 56.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.711 0.291 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.9 m -62.28 -20.18 64.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.057 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.807 ' HB3' HG21 ' A' ' 66' ' ' VAL . 59.7 mm-40 -118.36 -67.96 0.95 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 89' ' ' VAL . 15.1 t -145.32 16.29 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.589 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.5 t0 48.13 28.3 1.48 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.959 0.409 . . . . 0.0 111.193 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.83 -38.01 64.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.759 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.9 t -58.72 -37.7 76.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.531 HG22 ' OE1' ' A' ' 97' ' ' GLN . 89.0 m -71.04 -49.31 46.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.637 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -57.36 -51.46 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.924 0.392 . . . . 0.0 110.331 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -58.88 -37.91 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.076 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t -57.91 -43.25 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.765 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.531 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.58 -48.78 53.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.912 0.387 . . . . 0.0 110.936 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.69 -48.66 39.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.043 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.437 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.5 p -107.18 11.83 29.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 mttm 58.12 22.11 8.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.616 0.246 . . . . 0.0 111.355 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 99' ' ' THR . 53.3 m170 -86.73 96.41 10.15 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.698 ' O ' HD22 ' A' ' 103' ' ' LEU . 35.8 m-85 -92.02 26.2 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.823 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.741 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.6 mm? -129.89 119.5 23.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.944 0.402 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.456 HG23 ' CE3' ' A' ' 72' ' ' TRP . 8.8 t -138.97 141.42 38.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.934 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 105' ' ' VAL . 13.8 p -120.22 119.11 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.92 0.39 . . . . 0.0 111.203 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -73.17 121.29 20.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.729 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.726 HD23 HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -72.18 -9.95 59.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.678 -179.764 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -33.53 29.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.632 0.253 . . . . 0.0 111.485 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.03 -4.89 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.69 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 mt 59.9 34.46 21.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.769 0.318 . . . . 0.0 110.954 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 105' ' ' VAL . 14.5 mtp180 -114.11 151.69 32.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.679 HG21 HD23 ' A' ' 123' ' ' LEU . 23.9 t -102.75 150.14 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -132.79 139.74 47.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.417 . . . . 0.0 111.305 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 15.6 t -112.85 111.64 22.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.442 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -69.25 -41.99 76.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.656 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.444 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.63 -52.63 64.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 110.951 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.7 m -69.13 -30.06 68.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.46 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 p 76.88 46.51 0.08 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.584 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.94 -178.47 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.93 138.7 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.27 165.2 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -119.59 123.91 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.679 HD23 HG21 ' A' ' 112' ' ' VAL . 1.5 mm? -87.56 151.64 22.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -133.66 156.84 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.401 ' HB3' HD12 ' A' ' 127' ' ' LEU . 3.0 mtt180 -70.78 -26.28 63.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 28.1 mttm 61.78 35.31 16.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 125' ' ' ARG . 4.8 mt -112.95 -178.36 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 116.41 -45.17 1.32 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.4 -67.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.929 0.395 . . . . 0.0 110.965 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.891 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 mtp85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.822 0.344 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' HB3' ' ND1' ' A' ' 38' ' ' HIS . 4.7 m120 -61.92 -53.81 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.473 ' NE2' HD21 ' A' ' 42' ' ' LEU . 15.3 p-80 -178.47 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.13 132.51 24.33 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.278 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' O ' ' OD2' ' A' ' 43' ' ' ASP . 58.1 Cg_endo -71.05 -26.06 22.0 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.026 2.484 . . . . 0.0 113.796 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.524 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.0 m80 -67.81 -53.56 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.669 0.271 . . . . 0.0 111.543 -179.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.86 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.7 pp -78.52 -37.55 42.74 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 40' ' ' PRO . 8.5 p-10 -59.36 -21.58 60.05 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.426 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.6 m -83.61 -43.19 15.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.722 0.296 . . . . 0.0 111.411 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.609 HG21 HD23 ' A' ' 75' ' ' LEU . 35.5 m -68.82 139.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.239 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.59 -136.59 0.9 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.509 ' HG3' HD13 ' A' ' 123' ' ' LEU . 3.9 tt0 -140.53 160.38 40.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.55 HG22 ' HB2' ' A' ' 52' ' ' ASP . 27.7 mt -106.77 149.14 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.7 p -76.87 160.12 29.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -40.4 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.73 ' HA ' HD12 ' A' ' 54' ' ' ILE . 1.5 mm-40 -58.86 -38.32 78.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.55 ' HB2' HG22 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -72.39 -43.31 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.9 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.05 -31.89 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 51' ' ' GLU . 16.1 mt -56.16 -46.66 81.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.459 ' HA ' HD12 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -64.07 -41.49 97.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.93 0.395 . . . . 0.0 110.418 179.659 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.691 ' HG2' HG22 ' A' ' 82' ' ' VAL . 23.4 mttt -69.06 -32.19 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.847 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.8 p -71.44 -12.51 61.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.362 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 55' ' ' GLN . 17.5 mt -61.88 -19.04 62.22 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.651 0.263 . . . . 0.0 110.928 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.669 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.91 51.57 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.594 -0.813 . . . . 0.0 113.424 178.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.422 ' O ' HG11 ' A' ' 82' ' ' VAL . 0.8 OUTLIER -144.19 138.43 28.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.063 179.384 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 12.2 t -87.03 135.13 33.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.15 -4.71 45.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.539 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -109.0 -53.13 2.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.705 0.288 . . . . 0.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.14 -171.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.962 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -110.55 65.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.267 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.452 HG11 ' OE1' ' A' ' 88' ' ' GLN . 27.5 m -113.72 122.3 67.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.637 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 59' ' ' GLY . 4.0 pt20 -95.74 105.84 17.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.869 0.366 . . . . 0.0 111.338 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 49.63 -177.77 0.02 OUTLIER Glycine 0 CA--C 1.52 0.373 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.983 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -91.5 -73.89 0.0 OUTLIER 'Cis proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.729 -1.363 . . . . 0.0 112.469 0.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.55 94.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.065 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.669 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.1 mt -106.31 146.43 30.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.718 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 16.0 m95 -115.15 148.1 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.37 141.74 48.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.8 t -56.01 132.2 49.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.648 HD11 HD12 ' A' ' 123' ' ' LEU . 8.0 tp -83.15 -19.86 35.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.844 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 13.5 tp10 -53.29 128.31 27.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -60.78 -40.76 93.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.253 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 mmm-85 -77.91 -17.06 57.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.518 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 76' ' ' GLU . 1.4 t -108.41 125.7 52.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.914 0.388 . . . . 0.0 111.289 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.4 p -126.11 70.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -118.39 148.6 42.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.371 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.691 HG22 ' HG2' ' A' ' 56' ' ' LYS . 6.6 t -108.21 129.71 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.621 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -139.41 162.6 26.11 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.868 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 21.2 p -103.45 144.69 31.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.588 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.64 -158.13 17.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.86 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.28 -18.57 50.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.654 0.264 . . . . 0.0 111.346 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -18.2 60.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.232 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.452 ' OE1' HG11 ' A' ' 66' ' ' VAL . 52.3 mm-40 -126.28 -78.82 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.651 0.262 . . . . 0.0 111.181 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.0 t -143.16 17.26 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.74 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.81 37.43 24.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.601 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 m -61.98 -36.36 81.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.394 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.498 HG22 ' OE1' ' A' ' 97' ' ' GLN . 5.4 m -70.93 -47.52 58.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.415 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.5 mt -58.1 -49.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.183 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -59.96 -38.12 81.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.932 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -58.08 -43.29 86.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.604 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.498 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -68.01 -48.58 65.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.795 0.331 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -50.57 -48.71 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.902 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.465 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 58.5 p -107.42 17.18 23.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.617 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 51.3 22.39 1.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 99' ' ' THR . 63.9 m170 -82.63 96.2 8.03 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.412 ' HB3' ' HB2' ' A' ' 115' ' ' TYR . 35.7 m-85 -87.95 12.79 12.36 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.86 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.6 mm? -114.1 118.88 35.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.024 0.44 . . . . 0.0 111.22 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.438 HG23 ' CE3' ' A' ' 72' ' ' TRP . 12.3 t -139.11 132.47 30.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.845 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.468 ' HB ' HD13 ' A' ' 75' ' ' LEU . 12.9 p -120.41 123.24 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.242 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.1 p30 -76.45 122.66 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.394 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.55 -17.05 61.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.817 -179.456 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.4 m -82.22 -31.52 30.24 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.649 0.241 . . . . 0.0 111.649 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -12.87 13.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.666 0.27 . . . . 0.0 111.554 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.2 mt 62.75 30.55 16.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.282 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -114.28 139.08 49.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.931 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.2 t -94.42 150.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.422 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 73.7 t-105 -131.98 141.84 49.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.434 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.5 t -115.17 110.12 19.02 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.412 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 20.5 m-85 -69.16 -42.11 76.35 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.641 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.524 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.48 -52.66 64.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.948 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.8 m -69.96 -30.21 67.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.406 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.85 52.75 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.639 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.422 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -174.13 173.29 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.022 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -88.91 136.37 33.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.1 m -127.61 177.56 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -123.5 155.54 37.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.648 HD12 HD11 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -110.63 131.49 55.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.751 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.6 119.3 36.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -100.28 -31.6 11.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -79.87 76.51 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.36 161.71 14.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.962 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -174.05 34.27 0.11 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.544 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.86 -33.18 6.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.789 0.328 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -72.78 -55.9 6.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.492 ' NE2' HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -130.22 154.26 47.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -63.37 132.9 95.29 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.634 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.84 -43.81 2.38 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.774 2.316 . . . . 0.0 113.102 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.8 m80 -47.12 -55.23 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.357 -179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.839 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.2 pp -75.37 -37.06 60.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.957 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.507 ' N ' HD12 ' A' ' 42' ' ' LEU . 10.7 t70 -54.77 -22.07 13.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.374 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.2 m -83.09 -43.07 16.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.268 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 42' ' ' LEU . 21.9 m -60.05 167.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.299 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.555 ' O ' HD11 ' A' ' 123' ' ' LEU . . . -104.46 -122.71 5.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.496 ' HA ' HD21 ' A' ' 123' ' ' LEU . 4.2 tt0 -140.57 155.45 46.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.668 HG21 HD21 ' A' ' 53' ' ' LEU . 4.1 tt -109.86 138.99 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.9 p -83.98 159.84 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.044 0.449 . . . . 0.0 111.307 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -63.61 -33.1 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.816 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.6 tm-20 -58.89 -43.2 90.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.778 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.43 -46.48 54.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.784 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.668 HD21 HG21 ' A' ' 48' ' ' ILE . 18.6 mt -62.15 -31.88 72.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.325 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.7 tt -55.2 -42.26 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 111.109 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -68.62 -42.91 77.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.645 179.766 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' CD ' ' HB1' ' A' ' 73' ' ' ALA . 42.7 mttt -68.05 -32.2 72.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.916 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.5 p -71.86 -12.78 61.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.469 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.19 -19.1 62.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.654 0.264 . . . . 0.0 110.969 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.17 45.2 4.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.709 -0.758 . . . . 0.0 113.07 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -144.4 138.71 27.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.902 0.382 . . . . 0.0 111.006 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.6 t -86.89 143.05 27.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -37.62 53.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.3 -53.08 13.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.4 p -120.61 178.56 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.943 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.17 98.01 7.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.2 m -126.72 -179.33 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -123.75 113.49 18.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.66 -147.12 0.02 OUTLIER Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.627 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.87 ' HB2' HG23 ' A' ' 108' ' ' THR . 55.4 Cg_endo -69.38 -32.42 3.83 Favored 'Cis proline' 0 C--N 1.347 0.487 0 C-N-CA 123.342 -1.524 . . . . 0.0 112.259 0.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.518 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 64.4 m-20 -43.92 91.79 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.392 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 69' ' ' PRO . 5.2 mt -153.15 148.08 26.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.06 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 18.0 m95 -107.05 162.26 14.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.47 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -143.08 142.28 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 t -57.1 131.71 50.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.722 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.664 HD21 HD13 ' A' ' 123' ' ' LEU . 19.6 tp -83.55 -14.57 51.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.873 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 6.9 tp10 -54.77 138.61 41.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.818 0.342 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -66.75 -42.67 85.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -24.17 41.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.159 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -101.05 122.8 44.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.36 . . . . 0.0 111.158 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.6 m -125.04 51.68 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.395 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -96.0 148.62 22.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.327 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 t -105.61 128.65 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.822 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.77 159.41 26.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.719 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.9 p -103.39 143.08 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.78 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.52 -167.7 14.05 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.921 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.87 -19.78 45.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.668 0.27 . . . . 0.0 111.41 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.26 -18.22 60.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.168 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -123.21 -73.18 0.65 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.052 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 89' ' ' VAL . 14.7 t -143.18 15.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.728 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t0 50.76 32.45 7.09 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.911 0.386 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -54.78 -37.36 65.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.788 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.4 m -58.97 -36.59 75.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.595 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.457 HG22 ' OE1' ' A' ' 97' ' ' GLN . 95.9 m -72.12 -48.84 40.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.518 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.29 -50.85 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.994 0.425 . . . . 0.0 110.276 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -60.4 -36.26 77.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.963 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -59.21 -42.46 91.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.457 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.64 -48.7 53.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -49.48 -48.65 47.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.978 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.438 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.2 p -106.98 12.76 28.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.59 22.19 6.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.661 0.267 . . . . 0.0 111.375 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.8 m170 -86.74 96.33 10.13 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.769 ' C ' HD22 ' A' ' 103' ' ' LEU . 34.7 m-85 -92.15 26.07 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.453 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.769 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.8 mm? -125.39 117.01 22.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.939 0.4 . . . . 0.0 110.784 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.6 t -137.62 134.59 35.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.8 p -120.15 126.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.948 0.404 . . . . 0.0 111.259 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 9.2 p30 -78.99 123.17 27.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.361 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -72.53 -17.44 61.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.824 -179.555 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.87 HG23 ' HB2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -82.18 -27.51 32.58 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.202 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.36 -10.47 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.7 mt 60.97 29.87 19.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -114.28 136.68 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.525 HG11 HD22 ' A' ' 75' ' ' LEU . 20.4 t -93.3 150.18 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 56.5 t-105 -132.1 145.41 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.014 0.435 . . . . 0.0 111.369 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 24.9 t -116.71 113.05 22.08 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.544 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -69.27 -42.21 75.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.757 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.528 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.15 -52.59 64.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.991 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.1 m -69.76 -30.24 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.537 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.5 m 75.85 53.12 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.629 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.436 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.31 173.75 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.072 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -86.24 139.32 31.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.591 HG21 HD23 ' A' ' 42' ' ' LEU . 11.7 m -136.18 -179.34 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -123.56 145.61 48.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.664 HD13 HD21 ' A' ' 75' ' ' LEU . 41.7 tp -86.86 153.57 21.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -82.47 132.4 35.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.981 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -25.82 36.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.1 156.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 mt 61.12 157.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 90.08 -50.85 3.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.544 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.0 m -62.02 -33.65 74.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.911 0.386 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.916 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.825 0.345 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.1 t30 60.68 95.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -112.51 161.57 16.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -61.82 135.79 94.6 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.535 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.65 -45.07 2.56 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.737 2.291 . . . . 0.0 113.059 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.551 ' HB3' HD21 ' A' ' 103' ' ' LEU . 19.4 m80 -46.48 -55.26 7.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.448 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 39' ' ' CYS . 4.0 pp -74.35 -37.32 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.829 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.518 ' N ' HD12 ' A' ' 42' ' ' LEU . 34.8 t0 -57.66 -21.84 42.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.406 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.3 -43.05 15.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.431 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 42' ' ' LEU . 30.9 m -69.22 -178.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.327 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.32 -159.2 10.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.457 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.538 ' OE1' HD12 ' A' ' 123' ' ' LEU . 5.1 tt0 -115.25 148.02 39.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.782 0.325 . . . . 0.0 110.955 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.582 HD11 ' O ' ' A' ' 74' ' ' CYS . 26.0 mt -95.06 148.64 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -77.22 160.02 29.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.65 -31.57 71.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 54' ' ' ILE . 4.9 tt0 -60.64 -44.82 95.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.43 -45.3 60.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.098 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.33 -31.72 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.365 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -53.53 -42.44 49.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -68.62 -41.82 78.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.64 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HD3' HG22 ' A' ' 82' ' ' VAL . 9.7 mttm -69.02 -32.24 71.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.089 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.5 p -73.75 -12.57 60.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.429 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.9 mt -62.28 -19.06 62.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.623 0.249 . . . . 0.0 110.989 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 90.24 45.34 4.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.987 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 78.8 p -144.05 138.5 28.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.953 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.4 t -86.88 137.72 32.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.769 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.584 ' NE2' HG23 ' A' ' 82' ' ' VAL . 42.8 mt-30 -76.37 -28.5 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.95 -52.97 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.722 ' SG ' HG13 ' A' ' 66' ' ' VAL . 30.7 p -124.4 -166.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.762 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -122.65 63.57 0.97 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.96 0.41 . . . . 0.0 110.741 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.722 HG13 ' SG ' ' A' ' 64' ' ' CYS . 15.5 m -89.07 -19.68 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.397 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 66.22 159.78 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.816 0.341 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.91 -150.0 10.25 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.552 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.96 -52.67 0.15 OUTLIER 'Cis proline' 0 C--N 1.346 0.431 0 C-N-CA 123.173 -1.595 . . . . 0.0 112.391 0.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.547 ' N ' HG21 ' A' ' 108' ' ' THR . 7.8 m-80 -43.72 110.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.408 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.447 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.2 mt -149.92 141.91 23.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 25.2 m95 -110.94 150.93 28.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' CB ' ' HD2' ' A' ' 56' ' ' LYS . . . -135.13 140.33 45.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.582 ' O ' HD11 ' A' ' 48' ' ' ILE . 16.2 t -55.63 135.61 51.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.946 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.525 HD22 ' CG1' ' A' ' 112' ' ' VAL . 16.8 tp -86.22 -20.27 28.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.544 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.453 ' OE2' HG12 ' A' ' 45' ' ' VAL . 4.9 tp10 -53.45 126.73 22.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.859 0.362 . . . . 0.0 110.994 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -62.11 -35.15 77.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -79.56 -26.17 41.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.8 t -98.1 150.05 21.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.117 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 p -144.23 53.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.353 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -97.58 146.65 25.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.424 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.584 HG23 ' NE2' ' A' ' 62' ' ' GLN . 22.2 t -113.56 114.95 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.614 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -132.33 164.71 23.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.943 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.5 p -103.45 139.19 39.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.982 0.42 . . . . 0.0 110.648 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.61 -169.35 0.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.941 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -65.01 -19.08 65.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.633 0.254 . . . . 0.0 111.298 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -18.6 62.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.166 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.17 -70.97 0.76 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.709 0.29 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.8 t -143.03 18.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.636 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.45 28.61 4.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.772 0.32 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -41.6 66.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 m -59.21 -35.4 73.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.54 HG22 ' OE1' ' A' ' 97' ' ' GLN . 58.8 m -70.51 -52.55 21.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.01 -51.23 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -57.19 -39.99 76.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.035 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.7 t -58.01 -42.75 85.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.673 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.54 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.56 -49.03 52.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.381 . . . . 0.0 110.946 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.46 -48.59 47.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.001 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 46.8 p -107.8 13.67 26.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.711 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 55.51 22.32 5.03 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.639 0.257 . . . . 0.0 111.516 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.7 m170 -85.74 96.17 9.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.654 ' C ' HD22 ' A' ' 103' ' ' LEU . 23.7 m-85 -88.72 16.31 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.742 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.654 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.7 mm? -117.91 117.35 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 111.027 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.5 t -135.95 134.37 38.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.787 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 111' ' ' ARG . 14.9 p -120.21 123.02 69.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.942 0.401 . . . . 0.0 111.218 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.7 p30 -79.21 121.87 25.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.49 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.33 -11.52 60.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.559 -179.716 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.547 HG21 ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -82.1 -32.22 30.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.464 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.33 -9.37 11.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.601 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 110' ' ' LEU . 13.0 mt 62.0 32.9 17.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.941 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.535 ' O ' HG23 ' A' ' 105' ' ' VAL . 16.9 mmm180 -114.14 154.4 27.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.952 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.525 ' CG1' HD22 ' A' ' 75' ' ' LEU . 21.3 t -106.34 150.11 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -130.38 140.88 50.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.5 t -117.48 110.59 18.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.831 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 50.1 m-85 -69.36 -41.15 76.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.46 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.501 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.71 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 m -69.53 -29.99 67.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.301 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.66 53.9 0.06 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.29 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.96 176.26 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.034 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -87.87 136.12 33.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.792 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.413 HG23 ' HB ' ' A' ' 112' ' ' VAL . 8.7 m -122.47 166.54 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.26 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -116.66 148.68 40.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.538 HD12 ' OE1' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -99.7 140.27 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.448 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.9 OUTLIER -150.45 154.76 38.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.82 -28.12 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm 60.91 91.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 39.4 mt -98.41 30.14 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -109.81 45.88 1.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.541 HG23 ' H ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -136.02 -81.07 0.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.832 0.349 . . . . 0.0 110.897 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.541 ' H ' HG23 ' A' ' 129' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.814 0.34 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -125.51 -68.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -167.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -104.48 136.6 19.16 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.12 -44.6 3.59 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.707 2.271 . . . . 0.0 113.099 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.527 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 19.2 m80 -47.49 -55.17 9.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.343 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.558 HD21 ' HB3' ' A' ' 39' ' ' CYS . 4.1 pp -73.57 -34.2 65.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.741 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.475 ' N ' HD12 ' A' ' 42' ' ' LEU . 15.6 t70 -58.95 -21.82 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.256 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.21 -43.22 13.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.716 0.293 . . . . 0.0 111.41 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.698 HG21 HD23 ' A' ' 75' ' ' LEU . 34.1 m -71.7 159.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.141 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.21 -135.15 8.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.404 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -140.42 153.96 46.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.695 HD11 ' O ' ' A' ' 74' ' ' CYS . 25.8 mt -92.13 149.16 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.2 p -76.81 159.98 29.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' O ' HG12 ' A' ' 54' ' ' ILE . 9.8 mmtm -59.16 -44.1 92.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -33.93 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.245 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.56 ' HB2' HG22 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -72.36 -49.71 32.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.739 0.305 . . . . 0.0 110.85 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.7 mt -62.35 -31.91 72.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 50' ' ' LYS . 9.3 mm -56.16 -44.89 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.594 ' HA ' HD12 ' A' ' 58' ' ' LEU . 16.2 mt-30 -68.6 -39.81 80.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.567 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.62 ' HE3' HD13 ' A' ' 48' ' ' ILE . 20.6 mttm -67.63 -32.11 72.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.795 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.0 p -69.57 -12.81 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.648 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 55' ' ' GLN . 3.1 mt -62.05 -19.16 62.61 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.905 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.94 49.25 3.86 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.747 -0.739 . . . . 0.0 113.277 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -144.43 138.57 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 0.0 110.977 179.508 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.2 t -86.9 138.53 31.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.788 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -77.08 -28.05 54.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 91' ' ' HIS . 17.1 t0 -81.22 -53.06 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.225 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.603 ' SG ' HG23 ' A' ' 66' ' ' VAL . 9.9 p -119.03 -174.66 2.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.975 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.03 43.59 1.05 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.42 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.603 HG23 ' SG ' ' A' ' 64' ' ' CYS . 99.2 t -91.73 126.72 44.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.738 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.19 141.82 28.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.37 -139.82 0.01 OUTLIER Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.88 -44.32 0.3 Allowed 'Cis proline' 0 C--N 1.349 0.592 0 C-N-CA 123.493 -1.461 . . . . 0.0 112.406 0.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -48.86 94.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.238 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 59' ' ' GLY . 4.9 mt -142.97 145.85 33.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 15.7 m95 -111.2 161.32 16.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.136 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.42 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -143.07 139.2 30.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.695 ' O ' HD11 ' A' ' 48' ' ' ILE . 14.0 t -55.24 135.15 49.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.698 HD23 HG21 ' A' ' 45' ' ' VAL . 5.9 tp -89.85 -10.38 45.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.894 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.415 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.1 OUTLIER -55.41 142.78 31.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -67.3 -45.36 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.212 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -20.78 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.415 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.1 t -103.11 128.94 49.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.979 0.419 . . . . 0.0 111.254 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -129.05 41.72 3.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.352 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.98 148.55 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.335 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.424 HG23 ' OE1' ' A' ' 62' ' ' GLN . 11.6 t -109.15 120.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.777 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -129.33 159.76 22.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.778 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.4 p -103.18 138.6 39.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.333 . . . . 0.0 110.774 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.79 -177.05 4.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.917 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.44 -19.04 54.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -19.16 62.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.979 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -120.37 -70.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 89' ' ' VAL . 8.4 t -141.44 14.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.691 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t0 47.51 29.5 1.41 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.918 0.389 . . . . 0.0 111.175 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' A' ' 63' ' ' ASP . 0.9 OUTLIER -55.47 -35.3 65.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.62 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -59.77 -37.73 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.39 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.513 HG22 ' OE1' ' A' ' 97' ' ' GLN . 89.5 m -71.12 -50.31 34.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.604 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.54 -50.72 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.361 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -58.72 -38.39 78.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.111 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 t -58.42 -43.51 88.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.728 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.513 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.52 -48.69 54.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.836 0.351 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -49.16 -48.65 44.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.139 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.472 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 41.6 p -107.87 14.71 25.14 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 55.42 22.16 4.79 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.8 m170 -85.91 96.23 9.73 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.804 ' C ' HD22 ' A' ' 103' ' ' LEU . 24.5 m-85 -91.9 31.21 1.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.58 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.4 mm? -133.14 117.78 17.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.427 HG23 ' CE3' ' A' ' 72' ' ' TRP . 9.0 t -138.27 136.68 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 105' ' ' VAL . 14.8 p -120.22 126.12 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 2.1 p30 -80.07 123.02 27.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.437 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.413 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.36 -17.96 61.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.834 -179.502 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -27.06 33.25 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.07 -5.37 10.51 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.7 mt 56.73 32.32 20.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.807 0.337 . . . . 0.0 111.077 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -114.16 147.42 38.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.5 t -105.05 150.07 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 60.2 t-105 -131.64 142.62 49.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.967 0.413 . . . . 0.0 111.445 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 16.8 t -114.88 112.67 23.1 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.452 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 23.6 m-85 -69.46 -42.06 75.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.667 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.527 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.97 -52.72 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.411 . . . . 0.0 110.901 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.8 m -68.97 -30.09 68.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.236 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 m 75.01 54.41 0.07 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.732 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.418 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.36 -179.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.214 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.75 147.65 25.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.79 165.78 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -123.51 149.54 45.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.06 131.23 43.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.51 -47.0 71.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -60.02 -31.33 69.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -106.42 78.74 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 30.6 mt 60.13 91.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -155.0 62.48 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.443 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.2 p -104.46 -34.33 8.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.882 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.744 0.307 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -70.54 124.51 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -132.61 -171.9 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.535 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -106.37 132.88 20.53 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.678 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.51 -44.42 4.57 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.823 2.349 . . . . 0.0 113.103 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.487 ' HB3' HD21 ' A' ' 103' ' ' LEU . 21.2 m80 -46.43 -55.19 7.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.461 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 39' ' ' CYS . 3.9 pp -74.15 -36.45 64.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.495 ' N ' HD12 ' A' ' 42' ' ' LEU . 1.4 m-20 -58.05 -21.96 47.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.358 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -83.75 -43.18 15.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.385 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.766 HG21 HD23 ' A' ' 75' ' ' LEU . 27.4 m -71.69 172.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.302 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.797 ' O ' HD21 ' A' ' 123' ' ' LEU . . . -112.39 -139.38 7.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.529 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.589 ' HG3' HD23 ' A' ' 123' ' ' LEU . 1.7 tt0 -140.5 164.7 29.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.349 . . . . 0.0 110.948 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.669 ' HB ' HD21 ' A' ' 53' ' ' LEU . 22.3 mt -112.93 150.77 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.051 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.4 p -76.82 160.05 29.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -63.11 -29.15 70.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 54' ' ' ILE . 21.0 pt-20 -66.09 -41.78 90.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -45.52 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.012 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.669 HD21 ' HB ' ' A' ' 48' ' ' ILE . 20.7 mt -63.44 -31.86 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.252 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.3 tt -54.23 -42.17 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.129 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.409 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -68.53 -44.66 74.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.58 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.821 ' HD3' HG22 ' A' ' 82' ' ' VAL . 50.9 mttt -66.47 -32.29 73.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.157 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.9 p -72.83 -12.61 61.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.438 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.6 mt -62.12 -19.13 62.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.65 0.262 . . . . 0.0 111.037 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.83 50.49 2.29 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.09 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.406 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 34.0 p -144.17 138.33 28.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.593 ' HB2' HG22 ' A' ' 66' ' ' VAL . 11.3 t -87.02 140.75 29.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.591 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.02 -24.92 52.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.32 -52.96 4.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -116.01 -168.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.985 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -116.89 91.16 3.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.593 HG22 ' HB2' ' A' ' 61' ' ' CYS . 27.5 m -132.35 122.01 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -65.7 134.33 52.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.039 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.52 -139.36 2.74 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.426 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.794 ' HB2' HG23 ' A' ' 108' ' ' THR . 56.1 Cg_endo -70.64 -27.54 7.19 Favored 'Cis proline' 0 C--N 1.348 0.532 0 C-N-CA 123.472 -1.47 . . . . 0.0 112.392 0.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.404 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 22.9 m120 -45.88 95.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.342 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.8 mt -152.35 146.18 25.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.025 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.441 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 13.1 m95 -109.37 151.42 26.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.45 ' HB2' HD11 ' A' ' 107' ' ' LEU . . . -129.29 138.51 51.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.982 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -58.58 125.2 22.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.747 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.773 HD21 HD13 ' A' ' 123' ' ' LEU . 5.2 tp -80.02 -16.36 55.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.648 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.39 117.13 2.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.759 0.314 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -55.94 -37.06 68.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -76.67 -21.98 54.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 t -101.94 150.12 23.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 111.099 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.06 68.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.42 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -127.96 148.58 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.29 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.821 HG22 ' HD3' ' A' ' 56' ' ' LYS . 13.0 t -111.84 129.28 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.844 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.38 165.75 24.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.76 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.0 p -103.39 142.01 34.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.828 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.63 -171.96 11.09 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.865 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -20.17 46.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.671 0.272 . . . . 0.0 111.36 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -62.12 -18.81 61.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -68.1 0.92 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 89' ' ' VAL . 9.8 t -147.68 17.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.764 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t0 47.26 31.03 1.61 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.842 0.354 . . . . 0.0 111.18 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -54.39 -37.71 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.744 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.547 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.545 HG22 ' OE1' ' A' ' 97' ' ' GLN . 30.8 m -71.05 -49.92 39.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.584 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -57.8 -50.33 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.386 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -58.87 -38.85 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.059 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 t -58.05 -43.67 87.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.545 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.6 -48.76 53.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.846 0.355 . . . . 0.0 111.031 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -49.71 -48.71 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.106 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.447 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 45.6 p -105.07 11.36 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt 57.94 22.08 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.643 0.258 . . . . 0.0 111.325 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 99' ' ' THR . 55.2 m170 -87.25 96.21 10.25 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.515 ' C ' HD22 ' A' ' 103' ' ' LEU . 21.6 m-85 -87.24 10.71 16.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.924 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.9 mm? -109.79 117.09 32.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.397 . . . . 0.0 110.932 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.6 t -137.55 129.99 29.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.663 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.559 ' HB ' HD13 ' A' ' 75' ' ' LEU . 11.9 p -120.36 120.52 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 111.572 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 5.5 p30 -71.64 120.07 16.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.306 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.32 -14.93 61.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.718 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.794 HG23 ' HB2' ' A' ' 69' ' ' PRO . 1.3 m -82.0 -28.78 32.4 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.93 -8.21 10.29 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 110' ' ' LEU . 10.4 mt 61.44 32.7 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.345 . . . . 0.0 110.708 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -113.96 135.66 53.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 123' ' ' LEU . 18.4 t -94.46 150.15 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.274 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.426 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 66.9 t-105 -132.36 143.21 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.0 t -117.72 111.42 19.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.724 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -69.22 -42.12 76.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.596 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.476 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.16 -52.53 65.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.956 0.408 . . . . 0.0 110.826 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.19 -30.21 68.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.337 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.02 51.14 0.06 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.622 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.426 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -173.59 174.27 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.037 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -86.16 145.94 26.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.59 174.43 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.247 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -123.56 122.02 37.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.797 HD21 ' O ' ' A' ' 46' ' ' GLY . 31.0 tp -77.75 154.53 31.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.05 161.9 35.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.19 -32.71 13.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -141.73 135.27 29.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.3 mt -89.13 -32.36 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -106.68 53.3 0.63 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 12.2 m -71.61 -31.63 67.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.907 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.704 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -67.97 -46.14 2.58 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.896 2.397 . . . . 0.0 113.093 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 17.0 m80 -45.47 -54.82 6.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.513 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.709 ' HB3' HD11 ' A' ' 103' ' ' LEU . 4.0 pp -74.06 -38.38 63.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.456 ' N ' HD12 ' A' ' 42' ' ' LEU . 58.3 t0 -57.29 -21.79 37.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.431 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.8 p -81.45 -43.05 19.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.797 0.332 . . . . 0.0 111.214 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.612 HG21 HD23 ' A' ' 75' ' ' LEU . 27.5 m -72.03 158.49 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.18 -133.42 8.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -140.58 152.97 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.44 HD11 ' O ' ' A' ' 74' ' ' CYS . 32.7 mt -103.36 148.81 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.8 p -76.93 160.06 29.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -61.04 -32.42 72.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.77 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 54' ' ' ILE . 18.0 mp0 -59.58 -45.45 91.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.43 -40.34 67.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.079 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.652 HD23 ' HE2' ' A' ' 56' ' ' LYS . 20.1 mt -68.44 -31.9 71.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.254 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.6 tp -54.68 -42.5 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.841 0.353 . . . . 0.0 111.221 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 1.3 mm-40 -68.44 -43.97 75.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.741 ' CD ' HG22 ' A' ' 82' ' ' VAL . 1.8 mtmm -67.29 -32.34 73.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.076 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.5 p -73.29 -12.59 60.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.434 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.2 mt -62.24 -19.08 62.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.636 0.255 . . . . 0.0 111.105 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.66 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 91.02 48.9 3.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.024 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.408 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 61.0 p -144.05 138.51 28.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.342 . . . . 0.0 110.954 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.7 t -86.83 136.3 33.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.777 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.558 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -75.23 -17.88 60.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.91 -50.86 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 111.14 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.7 p -122.26 -168.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.0 mttt . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.807 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.66 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.2 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.953 0.406 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 24.7 m95 -116.18 157.24 25.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.243 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB1' ' HD2' ' A' ' 56' ' ' LYS . . . -142.37 138.97 31.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.056 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.44 ' O ' HD11 ' A' ' 48' ' ' ILE . 14.4 t -57.27 128.53 37.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.612 HD23 HG21 ' A' ' 45' ' ' VAL . 5.8 tp -82.7 -17.95 42.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.511 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 112.36 0.9 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -51.7 -32.81 31.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.213 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -80.09 -22.4 42.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.3 t -103.62 149.97 24.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 111.227 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 m -142.02 64.61 1.39 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.594 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.52 148.55 37.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.225 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.741 HG22 ' CD ' ' A' ' 56' ' ' LYS . 21.4 t -114.22 118.9 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.802 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.26 161.18 24.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.795 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 p -103.41 146.79 27.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.303 . . . . 0.0 110.649 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -172.12 25.67 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.128 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -21.12 21.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.709 0.29 . . . . 0.0 111.432 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.4 m -62.2 -17.53 58.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.177 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.74 -72.32 0.66 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 89' ' ' VAL . 15.5 t -141.58 12.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 t0 48.73 30.79 2.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -55.38 -35.67 65.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t -60.53 -36.99 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.508 HG22 ' OE1' ' A' ' 97' ' ' GLN . 87.2 m -70.71 -49.42 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.425 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.9 mt -58.17 -50.94 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.301 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -58.95 -37.3 76.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.133 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 t -59.21 -44.17 92.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.775 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.508 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.56 -48.83 53.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.88 0.371 . . . . 0.0 110.92 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.16 -48.64 53.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.112 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.44 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 42.2 p -104.85 11.85 33.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.8 mttp 57.17 22.02 7.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.635 0.255 . . . . 0.0 111.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.6 m170 -87.79 96.36 10.43 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.728 ' C ' HD22 ' A' ' 103' ' ' LEU . 30.1 m-85 -89.96 22.12 3.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.806 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.2 mm? -121.21 117.23 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.933 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 t -138.15 133.11 32.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.501 HG23 ' C ' ' A' ' 111' ' ' ARG . 14.5 p -120.15 125.44 74.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.281 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.455 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.3 p30 -78.44 123.51 27.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.16 -9.0 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.576 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.99 -40.95 52.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.769 0.319 . . . . 0.0 111.44 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.08 -4.77 10.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.626 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 mt 62.58 40.58 10.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.501 ' C ' HG23 ' A' ' 105' ' ' VAL . 12.7 mmt180 -114.02 142.64 45.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.744 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.1 t -95.49 150.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -133.25 140.45 47.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.9 t -114.33 111.76 22.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -69.27 -42.07 76.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.427 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.443 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.94 -52.42 65.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.936 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.88 -30.04 68.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.371 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.9 p 76.92 46.84 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.779 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.58 178.58 4.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.47 136.58 32.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.31 170.87 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 31.9 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.002 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 110.539 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.6 -45.08 2.6 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.794 2.329 . . . . 0.0 113.161 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 15.6 m80 -46.55 -55.17 7.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.368 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.742 ' HB3' HD11 ' A' ' 103' ' ' LEU . 4.0 pp -75.03 -35.44 61.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.909 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -58.64 -21.99 55.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -84.53 -43.18 14.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 111.315 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.778 HG21 HD23 ' A' ' 75' ' ' LEU . 31.4 m -75.33 143.68 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 111.2 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -83.8 -129.52 1.67 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.436 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -139.97 164.56 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.844 HD11 ' O ' ' A' ' 74' ' ' CYS . 32.7 mt -105.18 150.69 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.9 p -80.06 160.06 25.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.716 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -58.59 -42.33 87.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.955 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.638 ' HA ' HD12 ' A' ' 54' ' ' ILE . 3.6 tt0 -58.83 -36.56 74.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.455 ' HB2' HG22 ' A' ' 48' ' ' ILE . 5.3 m-20 -72.34 -41.56 66.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.0 mt -71.67 -31.96 67.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 51' ' ' GLU . 27.4 mt -58.35 -46.85 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.825 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -63.84 -40.79 97.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.999 0.428 . . . . 0.0 110.515 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.782 ' HG2' HG22 ' A' ' 82' ' ' VAL . 5.6 mttp -69.05 -32.22 71.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.96 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -72.16 -12.42 61.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.61 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.19 -19.09 62.75 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.987 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.501 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 90.47 47.88 3.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.626 -0.797 . . . . 0.0 113.303 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.6 p -144.21 138.22 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.9 t -87.33 142.57 27.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.576 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.13 -41.75 40.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.47 -53.2 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.1 p -116.08 172.17 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 tttt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.501 HD12 ' HA2' ' A' ' 59' ' ' GLY . 8.6 mt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.011 0.434 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.496 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.2 m95 -112.28 147.25 36.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.638 ' HB1' ' HE2' ' A' ' 56' ' ' LYS . . . -128.74 144.43 51.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.01 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.844 ' O ' HD11 ' A' ' 48' ' ' ILE . 27.6 t -56.38 134.21 53.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.778 HD23 HG21 ' A' ' 45' ' ' VAL . 4.6 tp -84.82 -18.25 35.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.727 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.541 ' HG2' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -53.39 128.18 27.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.9 0.381 . . . . 0.0 110.994 -179.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -63.1 -37.06 85.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.42 -22.39 41.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.181 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.7 147.77 25.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.915 0.388 . . . . 0.0 111.058 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.47 64.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.422 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -110.8 148.53 32.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.341 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.782 HG22 ' HG2' ' A' ' 56' ' ' LYS . 3.4 t -109.08 129.66 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.832 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.99 161.51 27.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.781 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 p -103.52 142.88 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.662 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.09 -169.96 8.02 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.936 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.64 -19.78 51.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 111.368 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 t -62.2 -18.45 61.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.111 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -121.67 -70.29 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.986 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 89' ' ' VAL . 10.5 t -148.02 18.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.665 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 t0 47.53 32.01 2.23 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.938 0.399 . . . . 0.0 111.234 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.3 -35.18 62.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.4 t -58.65 -39.71 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.363 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.601 HG22 ' OE1' ' A' ' 97' ' ' GLN . 89.9 m -70.33 -45.44 66.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.2 mt -57.92 -51.02 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.039 0.447 . . . . 0.0 110.251 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.54 -37.72 79.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 t -57.99 -42.63 85.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.633 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.601 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.61 -48.82 53.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.847 0.356 . . . . 0.0 110.959 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -49.12 -48.68 44.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.119 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.469 ' HG1' ' CE1' ' A' ' 101' ' ' HIS . 47.3 p -106.57 11.79 30.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt 57.71 22.12 8.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.602 0.239 . . . . 0.0 111.274 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.469 ' CE1' ' HG1' ' A' ' 99' ' ' THR . 55.9 m170 -86.85 96.32 10.17 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.706 ' C ' HD22 ' A' ' 103' ' ' LEU . 32.7 m-85 -88.19 22.75 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.1 mm? -124.6 117.5 24.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -135.06 133.33 39.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.835 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 111' ' ' ARG . 12.2 p -120.44 120.02 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.357 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 3.2 p30 -74.73 121.19 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.484 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.22 -13.57 61.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.505 -179.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -32.02 30.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.603 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.402 ' HB ' ' HG2' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -114.17 -9.45 12.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.524 -179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 110' ' ' LEU . 20.1 mt 62.85 30.77 16.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.194 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.502 ' O ' HG23 ' A' ' 105' ' ' VAL . 17.0 mmt180 -114.15 153.34 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.829 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.47 150.06 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 65.0 t-105 -130.62 141.0 50.43 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.974 0.416 . . . . 0.0 111.384 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 15.7 t -112.48 110.0 19.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.413 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 10.1 m-85 -69.22 -40.64 77.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.573 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.486 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.07 -52.64 64.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.942 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.9 m -70.24 -30.13 67.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.46 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.61 49.01 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.656 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.57 164.06 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.936 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -72.73 144.79 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.6 m -136.14 159.32 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.192 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 27.8 p90 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 49.3 Cg_endo -68.58 -46.11 2.07 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.846 2.364 . . . . 0.0 113.226 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 12.1 m80 -45.65 -55.18 6.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.497 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.824 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.8 pp -77.25 -32.83 55.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.472 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 1.6 m-20 -57.03 -21.8 33.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.182 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.42 -43.18 14.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.322 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.524 HG21 HD23 ' A' ' 75' ' ' LEU . 26.8 m -74.1 136.45 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 111.206 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.49 -120.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.438 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -140.55 153.35 46.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.534 HD13 ' CD2' ' A' ' 53' ' ' LEU . 20.2 tt -102.0 149.06 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -92.69 160.01 15.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -62.91 -29.32 70.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.45 ' O ' HG22 ' A' ' 54' ' ' ILE . 31.2 tt0 -61.06 -46.9 88.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.7 -37.39 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' CD2' HD13 ' A' ' 48' ' ' ILE . 53.2 mt -69.78 -31.85 70.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.305 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.8 tp -54.85 -43.59 68.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 111.274 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.427 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 4.2 mt-30 -68.43 -43.19 77.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.663 ' HD3' HG22 ' A' ' 82' ' ' VAL . 1.8 mttt -69.13 -32.27 71.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.157 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 p -75.62 -12.46 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.717 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 55' ' ' GLN . 20.2 mt -61.91 -18.74 61.31 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.139 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.788 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 91.94 45.0 4.01 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.976 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.621 ' O ' HG11 ' A' ' 82' ' ' VAL . 17.1 p -144.14 138.44 28.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.9 t -86.88 138.09 31.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.974 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.1 -26.67 53.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.74 -53.07 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.065 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.0 p -113.98 -176.29 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 tptp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.788 HD12 ' HA2' ' A' ' 59' ' ' GLY . 12.8 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.79 0.329 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 31.7 m95 -121.78 155.14 35.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.675 ' HB2' HD11 ' A' ' 107' ' ' LEU . . . -136.21 140.04 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 33.7 t -58.49 134.85 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 103' ' ' LEU . 4.3 tp -87.85 -19.81 26.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.636 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 3.4 tp10 -53.27 117.18 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.955 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -53.08 -39.55 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.347 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -10.9 59.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.449 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 76' ' ' GLU . 2.3 t -114.11 150.1 34.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.976 0.417 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -146.99 60.17 1.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.349 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -107.06 145.69 32.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.453 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.663 HG22 ' HD3' ' A' ' 56' ' ' LYS . 14.9 t -102.86 124.66 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.65 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.58 159.18 24.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.77 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.9 p -103.39 142.05 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 110.718 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.4 -164.56 9.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.952 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -19.84 54.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.723 0.296 . . . . 0.0 111.347 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -16.67 56.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.249 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -125.09 -73.25 0.64 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.61 0.243 . . . . 0.0 111.474 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 89' ' ' VAL . 11.6 t -145.34 17.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.09 31.89 12.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.793 0.33 . . . . 0.0 110.999 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.64 -37.59 65.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.769 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -36.89 75.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.432 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -70.7 -48.3 55.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.444 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.9 mt -59.14 -51.54 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.372 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -58.36 -37.07 74.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.078 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -59.35 -45.71 90.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.763 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -48.78 53.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.872 0.368 . . . . 0.0 111.108 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -48.62 56.68 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.455 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.4 p -101.28 9.11 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt 60.44 22.0 11.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.683 0.278 . . . . 0.0 111.094 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 99' ' ' THR . 49.8 m170 -90.08 96.38 10.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -86.57 10.65 14.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.824 HD11 ' HB3' ' A' ' 42' ' ' LEU . 3.6 mm? -114.49 117.76 31.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.033 0.444 . . . . 0.0 111.239 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.0 t -132.51 135.72 46.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.473 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.5 p -120.39 118.66 57.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.889 0.376 . . . . 0.0 111.491 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 7.4 p30 -69.0 120.12 14.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.418 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -72.16 -7.49 49.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.8 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.89 -41.12 26.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.795 0.331 . . . . 0.0 111.362 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.04 -0.21 11.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.663 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.9 mt 58.93 42.53 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.11 137.92 51.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.1 t -92.5 150.1 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -137.67 143.75 41.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 111.292 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.5 t -111.69 110.52 20.95 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.586 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -69.23 -42.18 76.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.591 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.499 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -62.47 -52.68 62.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 111.185 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.5 m -69.95 -30.19 67.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.3 m 76.09 54.46 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.619 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.95 166.27 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.991 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.57 134.27 35.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.7 m -124.2 -179.57 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 43.5 p90 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.448 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.363 0 CA-C-O 120.705 0.288 . . . . 0.0 110.514 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 43' ' ' ASP . 45.8 Cg_endo -68.05 -44.27 4.01 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.774 2.316 . . . . 0.0 113.108 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.775 ' HB3' HD21 ' A' ' 103' ' ' LEU . 18.0 m80 -46.85 -55.22 8.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.457 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HA ' HG22 ' A' ' 45' ' ' VAL . 4.1 pp -76.78 -31.67 57.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.923 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 23.3 t70 -61.18 -22.13 64.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.946 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -86.07 -43.17 13.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.193 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.773 HG12 ' HG2' ' A' ' 76' ' ' GLU . 36.0 m -74.65 127.12 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.32 -149.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.594 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -114.74 163.33 15.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.79 HG21 HD21 ' A' ' 53' ' ' LEU . 1.6 tt -104.08 142.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -80.62 159.97 25.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.036 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -43.25 97.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.862 ' HA ' HD12 ' A' ' 54' ' ' ILE . 3.6 mt-10 -58.81 -34.15 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.764 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.639 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -72.39 -42.51 65.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.626 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.79 HD21 HG21 ' A' ' 48' ' ' ILE . 24.9 mt -71.6 -31.8 67.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 51' ' ' GLU . 21.2 mt -55.29 -47.04 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.618 ' HA ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -64.56 -40.13 95.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 110.389 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.707 ' HG2' HG22 ' A' ' 82' ' ' VAL . 10.6 mttm -68.95 -32.19 71.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.194 0.521 . . . . 0.0 109.936 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 p -70.77 -12.63 61.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.669 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 55' ' ' GLN . 3.3 mt -61.91 -19.02 62.25 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.936 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.623 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.32 46.37 5.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.198 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.411 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 1.6 m -144.46 138.5 27.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.825 0.345 . . . . 0.0 111.031 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.6 t -87.08 140.64 29.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -77.02 -31.32 56.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.318 -179.662 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.443 ' HB3' ' CE1' ' A' ' 91' ' ' HIS . 1.2 t0 -78.72 -53.18 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.273 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.3 p -115.83 -179.95 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.057 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.744 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.623 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.1 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.951 0.405 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -114.19 159.01 20.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.992 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.43 140.76 32.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.2 t -56.43 131.19 47.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.775 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD23 HG21 ' A' ' 45' ' ' VAL . 28.0 tp -81.76 -21.63 37.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.483 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.773 ' HG2' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -53.54 114.46 1.53 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 110.956 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -54.53 -35.5 63.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -76.14 -26.87 56.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -96.56 149.98 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 t -142.71 68.02 1.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.704 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -120.35 144.97 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.056 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.707 HG22 ' HG2' ' A' ' 56' ' ' LYS . 5.6 t -111.11 120.37 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.784 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.35 162.94 24.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.778 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.7 p -103.43 146.48 28.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 0.0 110.741 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.76 -163.0 8.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.943 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 pm0 -60.89 -17.55 51.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.594 0.235 . . . . 0.0 111.477 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.5 m -62.23 -18.98 62.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.687 0.28 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -122.36 -72.0 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 89' ' ' VAL . 10.5 t -147.87 20.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.485 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 49.26 35.4 7.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.922 0.392 . . . . 0.0 111.177 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 63' ' ' ASP . 2.0 m170 -55.16 -37.24 66.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.705 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -59.57 -36.33 76.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.448 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.515 HG22 ' OE1' ' A' ' 97' ' ' GLN . 90.3 m -71.16 -49.23 46.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.549 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.03 -50.48 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.262 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -59.39 -37.6 78.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.097 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 t -58.82 -43.26 90.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.78 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.515 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.61 -48.8 53.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -49.52 -48.6 48.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.976 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.44 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.8 p -106.55 12.39 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt 57.02 22.13 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.612 0.244 . . . . 0.0 111.461 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 99' ' ' THR . 57.7 m170 -86.64 96.31 10.07 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.747 ' C ' HD22 ' A' ' 103' ' ' LEU . 23.1 m-85 -90.1 21.08 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.766 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 41' ' ' HIS . 2.5 mm? -123.22 116.87 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.1 t -137.88 139.48 39.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 111' ' ' ARG . 14.7 p -120.2 126.27 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.428 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -83.14 120.96 26.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.458 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.512 HD23 HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.21 -10.04 59.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.58 -179.546 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.64 -35.85 52.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.73 0.3 . . . . 0.0 111.308 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.12 -3.9 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.502 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.6 mt 60.39 35.72 20.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.805 0.336 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 105' ' ' VAL . 26.8 mmt180 -114.05 159.34 20.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.6 t -111.72 150.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.424 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 76.6 t-105 -130.91 139.34 50.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.8 110.33 18.92 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.639 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 16.3 m-85 -69.15 -42.04 76.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.618 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.511 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.67 -52.55 65.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.975 0.416 . . . . 0.0 110.936 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.1 m -69.21 -30.12 68.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.496 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 p 77.29 47.68 0.06 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.814 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.424 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -171.26 171.32 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.04 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -85.59 143.41 28.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.437 HG11 ' CD2' ' A' ' 42' ' ' LEU . 3.7 m -127.11 164.43 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 29.4 p90 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.433 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.591 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 52.2 Cg_endo -68.84 -45.68 2.04 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.761 2.308 . . . . 0.0 113.1 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.4 m80 -46.43 -55.12 7.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.786 0.327 . . . . 0.0 111.41 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.9 pp -74.06 -36.28 64.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.847 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 1.0 OUTLIER -59.86 -21.91 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.247 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 p -82.64 -43.18 17.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.245 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 42' ' ' LEU . 27.6 m -71.89 170.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.367 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.64 -139.28 8.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.461 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -140.35 150.32 43.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.543 ' HB ' HD21 ' A' ' 53' ' ' LEU . 31.8 mt -96.79 152.7 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 p -81.32 159.96 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -30.46 70.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 54' ' ' ILE . 3.8 mt-10 -64.73 -41.94 95.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.44 -44.18 62.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.058 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.543 HD21 ' HB ' ' A' ' 48' ' ' ILE . 31.5 mt -65.06 -31.85 73.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -53.87 -42.48 53.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 111.141 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.402 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 4.6 mt-30 -67.93 -42.22 81.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.653 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.795 ' HD3' HG22 ' A' ' 82' ' ' VAL . 28.7 mttm -68.87 -32.28 71.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.92 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.7 p -72.03 -12.33 61.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.623 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 58' ' ' LEU . 18.3 mt -61.98 -19.06 62.39 Favored 'General case' 0 CA--C 1.528 0.098 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.988 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.79 47.03 2.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.606 -0.806 . . . . 0.0 113.41 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.405 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 16.7 p -144.18 137.96 27.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.8 t -87.37 141.77 28.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.45 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.26 -34.33 55.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.441 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -75.09 -53.14 9.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.462 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.3 p -126.64 -176.58 3.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.108 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.6 mttm . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.589 179.727 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.405 ' CD1' ' N ' ' A' ' 60' ' ' THR . 6.0 mt . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.954 0.407 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.8 m95 -109.58 141.76 41.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.56 144.41 49.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.488 ' O ' HD11 ' A' ' 48' ' ' ILE . 19.3 t -56.76 137.04 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.821 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.531 HD22 HG11 ' A' ' 112' ' ' VAL . 26.8 tp -87.09 -16.17 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.921 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.5 OUTLIER -53.34 135.67 38.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.829 0.347 . . . . 0.0 110.939 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -64.86 -37.75 88.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -25.41 27.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.298 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.7 t -98.37 130.01 45.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.133 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -132.96 62.32 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.421 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -105.06 148.57 26.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.286 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.795 HG22 ' HD3' ' A' ' 56' ' ' LYS . 7.3 t -108.79 119.8 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.712 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -131.31 162.86 23.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.751 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.9 p -103.42 148.66 25.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.765 0.316 . . . . 0.0 110.621 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.78 -159.55 24.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.837 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -19.01 26.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.538 0.208 . . . . 0.0 111.452 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.3 t -62.09 -18.06 59.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.255 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -126.89 -77.49 0.58 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.751 0.31 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 89' ' ' VAL . 11.1 t -142.59 16.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.608 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.64 37.1 19.05 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.94 0.4 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -54.71 -37.75 66.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.715 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -59.18 -36.67 75.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.581 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 88.0 m -71.26 -53.06 15.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.573 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -56.11 -48.86 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.333 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -59.87 -38.09 81.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.0 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.2 t -58.04 -43.85 87.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.807 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 93' ' ' THR . 0.6 OUTLIER -70.84 -48.66 52.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.88 0.371 . . . . 0.0 111.176 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -48.61 53.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.339 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.4 p -102.62 10.08 38.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.86 21.93 10.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.727 0.299 . . . . 0.0 111.269 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 99' ' ' THR . 49.5 m170 -89.75 96.12 10.55 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.762 ' C ' HD22 ' A' ' 103' ' ' LEU . 35.8 m-85 -89.73 21.79 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.762 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.8 mm? -122.48 116.4 23.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.928 0.394 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 t -133.65 129.32 36.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.694 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' A' ' 112' ' ' VAL . 11.3 p -120.37 123.89 71.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.933 0.397 . . . . 0.0 111.473 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.494 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 6.9 p30 -76.75 124.11 27.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.382 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.51 -15.99 61.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.729 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -34.3 28.59 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.01 -11.09 14.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.1 mt 62.14 30.98 17.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -114.14 138.58 50.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.531 HG11 HD22 ' A' ' 75' ' ' LEU . 22.0 t -99.22 150.13 5.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.302 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.411 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 70.4 t-105 -129.57 139.31 51.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.8 t -110.68 109.22 19.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.666 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -69.3 -41.47 76.71 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.657 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.473 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.83 -52.63 64.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.8 m -70.37 -30.12 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.03 51.19 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.544 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.411 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -170.81 -177.89 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.024 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -93.51 144.81 25.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.6 m -136.78 161.22 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.9 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.496 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 120.727 0.299 . . . . 0.0 110.691 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.83 -44.04 8.58 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.757 2.304 . . . . 0.0 113.248 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 20.5 m80 -47.57 -55.41 9.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.391 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.536 ' O ' HG22 ' A' ' 45' ' ' VAL . 3.9 pp -73.23 -33.82 65.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 0.0 110.969 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 28.0 t0 -55.42 -21.86 17.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.322 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -83.77 -43.1 15.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.689 0.281 . . . . 0.0 111.284 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 42' ' ' LEU . 21.4 m -69.09 146.87 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.109 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.97 -123.44 0.83 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.43 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -139.06 162.41 35.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.571 HG21 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -102.26 137.49 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 p -76.83 159.94 29.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.33 -45.48 94.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.715 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.85 ' HA ' HD12 ' A' ' 54' ' ' ILE . 2.2 tt0 -58.74 -32.85 69.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.551 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -72.39 -42.43 65.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.59 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.571 HD21 HG21 ' A' ' 48' ' ' ILE . 20.9 mt -71.71 -31.98 67.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 51' ' ' GLU . 23.8 mt -57.9 -45.6 87.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.812 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.591 ' HA ' HD12 ' A' ' 58' ' ' LEU . 2.1 tp60 -66.44 -41.35 89.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.621 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.883 ' HG2' HG22 ' A' ' 82' ' ' VAL . 13.1 mttm -69.01 -32.23 71.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.065 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.7 p -71.82 -12.82 61.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.423 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 55' ' ' GLN . 16.1 mt -62.29 -19.07 62.89 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.603 0.24 . . . . 0.0 110.999 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.689 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 88.5 45.0 5.09 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.986 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.5 p -144.09 138.72 28.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.972 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.5 t -86.8 143.01 27.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.517 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.11 -30.05 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.149 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.58 -53.15 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.189 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.3 p -120.73 -169.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.689 HD12 ' HA2' ' A' ' 59' ' ' GLY . 4.8 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.857 0.361 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.5 ' CE3' HG23 ' A' ' 104' ' ' THR . 30.8 m95 -112.96 160.74 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.632 ' HB1' ' NZ ' ' A' ' 56' ' ' LYS . . . -143.14 140.84 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.3 t -58.52 133.69 56.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.67 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.532 HD22 HG11 ' A' ' 112' ' ' VAL . 19.5 tp -84.49 -17.4 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.897 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.2 OUTLIER -54.41 133.0 45.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 0.0 110.892 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -65.29 -40.77 94.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.003 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -79.14 -16.01 57.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.281 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.401 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.7 t -109.22 123.94 50.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.897 0.379 . . . . 0.0 111.276 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.54 57.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.437 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -104.66 147.81 27.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.404 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.883 HG22 ' HG2' ' A' ' 56' ' ' LYS . 3.0 t -105.03 128.5 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.793 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.84 159.12 26.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.1 p -103.43 135.44 45.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.784 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.16 -159.89 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.815 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.43 -16.41 62.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.66 0.267 . . . . 0.0 111.491 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -62.33 -17.81 59.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.38 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -125.21 -78.13 0.6 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.629 0.252 . . . . 0.0 111.341 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 89' ' ' VAL . 5.9 t -136.96 18.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.746 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.13 30.44 9.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.737 0.303 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -54.22 -38.66 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 m -59.21 -36.17 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.659 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.484 HG23 ' CE2' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -71.18 -51.0 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.648 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.33 -49.59 79.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.308 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -59.07 -39.13 81.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.141 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -58.01 -43.75 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.778 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.424 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.79 -48.74 52.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.876 0.37 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -50.26 -48.7 54.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.116 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.447 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 45.7 p -103.71 10.75 36.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.1 mttm 58.23 22.04 8.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.701 0.286 . . . . 0.0 111.29 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 99' ' ' THR . 54.7 m170 -87.85 96.38 10.45 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.807 ' C ' HD22 ' A' ' 103' ' ' LEU . 24.4 m-85 -91.56 30.0 1.4 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.655 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.807 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.6 mm? -136.09 117.99 15.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.5 HG23 ' CE3' ' A' ' 72' ' ' TRP . 8.0 t -135.79 144.32 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 105' ' ' VAL . 13.5 p -120.17 122.91 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.326 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 3.0 p30 -82.47 121.54 26.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.72 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.31 -9.7 58.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.54 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.1 m -75.74 -43.02 48.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 111.28 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.05 3.46 11.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 110' ' ' LEU . 14.7 mt 55.94 38.27 29.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.793 0.33 . . . . 0.0 111.231 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -114.01 151.68 32.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.532 HG11 HD22 ' A' ' 75' ' ' LEU . 17.9 t -106.57 150.24 9.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 69.3 t-105 -129.59 140.09 51.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.447 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.2 t -114.07 111.27 21.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.352 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.484 ' CE2' HG23 ' A' ' 93' ' ' THR . 23.2 m-85 -69.18 -41.14 77.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.629 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.467 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.18 -52.62 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 111.015 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 m -69.63 -30.26 67.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.506 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 77.39 51.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.676 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.55 171.76 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.909 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 113' ' ' TRP . 2.5 pp20? -85.89 133.08 33.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.461 HG21 HD23 ' A' ' 42' ' ' LEU . 4.2 m -120.72 165.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 28.8 p90 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.468 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 120.767 0.318 . . . . 0.0 110.595 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.21 -45.59 3.7 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.794 2.33 . . . . 0.0 113.193 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.533 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.5 m80 -46.49 -55.15 7.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.457 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.715 ' HB3' HD11 ' A' ' 103' ' ' LEU . 4.0 pp -75.23 -32.88 61.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.888 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -57.83 -22.04 45.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.078 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.33 -43.17 11.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.6 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' A' ' 42' ' ' LEU . 34.4 m -72.72 136.0 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.887 0.375 . . . . 0.0 111.067 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.94 -149.56 8.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -119.77 165.22 14.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.916 0.389 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.617 HD13 ' HZ1' ' A' ' 56' ' ' LYS . 28.3 mt -107.28 150.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 p -78.28 160.01 28.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -61.24 -32.93 72.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -61.2 -43.56 98.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -38.87 67.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.025 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.519 HD23 ' HD2' ' A' ' 56' ' ' LYS . 18.4 mt -71.73 -31.95 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.431 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -55.43 -43.8 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.78 0.324 . . . . 0.0 111.04 -179.737 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -68.6 -39.14 81.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.558 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.865 ' HG2' HG22 ' A' ' 82' ' ' VAL . 48.4 mttt -67.98 -32.38 72.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.184 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.9 p -71.82 -12.9 61.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.401 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.53 -19.1 63.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.642 0.258 . . . . 0.0 111.069 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.683 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 84.78 49.05 4.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 113.043 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.416 ' O ' HG11 ' A' ' 82' ' ' VAL . 74.0 p -144.26 138.45 27.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 111.004 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.3 t -86.91 137.65 32.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -77.16 -31.5 55.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.64 -53.07 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.224 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -126.24 -169.17 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.955 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 mttt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.788 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.683 HD12 ' HA2' ' A' ' 59' ' ' GLY . 7.0 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.799 0.333 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.424 ' CE3' HG23 ' A' ' 104' ' ' THR . 61.7 m95 -114.96 120.64 40.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 107' ' ' LEU . . . -107.48 144.06 34.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.608 ' O ' HD11 ' A' ' 48' ' ' ILE . 13.3 t -58.93 144.13 45.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.763 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.633 HD23 HG21 ' A' ' 45' ' ' VAL . 11.1 tp -95.82 -15.53 22.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.933 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.4 133.83 40.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.906 0.384 . . . . 0.0 110.968 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -60.38 -40.55 91.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.036 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -85.06 -15.55 43.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.457 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.68 119.92 40.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 111.435 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -124.26 43.35 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.44 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -79.69 148.59 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.372 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.865 HG22 ' HG2' ' A' ' 56' ' ' LYS . 4.5 t -105.99 122.93 60.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.739 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.01 166.55 24.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.77 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.7 p -107.62 140.71 40.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 110.68 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.34 -176.24 10.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.99 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.41 ' CG ' ' HB3' ' A' ' 90' ' ' ASP . 1.2 tt0 -58.15 -21.87 48.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.653 0.264 . . . . 0.0 111.263 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.31 -18.24 60.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.181 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -120.43 -66.27 1.07 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.221 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.0 t -148.6 20.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.661 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.41 ' HB3' ' CG ' ' A' ' 86' ' ' GLU . 5.5 p-10 43.85 30.4 0.39 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.77 0.319 . . . . 0.0 111.52 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -36.91 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.392 . . . . 0.0 110.684 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.3 t -61.5 -35.56 78.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.454 HG22 ' OE1' ' A' ' 97' ' ' GLN . 4.0 m -71.09 -52.37 19.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.63 -49.36 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.246 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -58.64 -39.19 79.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.07 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.2 t -58.48 -42.76 88.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.62 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.454 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.59 -48.96 52.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.927 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.1 -48.59 53.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.053 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.471 ' HG1' ' CE1' ' A' ' 101' ' ' HIS . 54.1 p -104.78 10.78 34.45 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp 58.05 22.01 8.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.582 0.23 . . . . 0.0 111.383 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.471 ' CE1' ' HG1' ' A' ' 99' ' ' THR . 52.3 m170 -87.06 96.2 10.21 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.56 ' O ' HD22 ' A' ' 103' ' ' LEU . 30.2 m-85 -89.22 19.02 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.916 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.715 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.5 mm? -125.26 119.51 28.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.043 0.449 . . . . 0.0 111.236 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.424 HG23 ' CE3' ' A' ' 72' ' ' TRP . 5.6 t -134.12 141.86 47.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.753 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.5 p -120.36 113.19 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.265 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -69.43 120.44 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.499 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -72.24 -8.55 55.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.555 -179.665 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -76.59 -42.99 40.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.273 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.08 2.51 11.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.617 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.3 mt 58.85 32.93 22.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.795 0.331 . . . . 0.0 111.072 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -105.92 149.33 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.6 t -105.92 150.03 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.212 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 57.1 t-105 -131.92 143.59 50.24 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.8 t -114.53 112.81 23.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.679 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -69.43 -42.14 75.39 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.45 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.533 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.8 -52.72 63.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.813 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.3 m -68.97 -30.16 68.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.205 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 74.52 55.06 0.08 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.589 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.431 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -173.64 -178.88 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.61 142.0 28.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.48 161.93 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.184 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 22.3 p90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.524 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.355 0 CA-C-O 120.863 0.363 . . . . 0.0 110.699 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 41.8 Cg_endo -67.32 -45.59 3.59 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.828 2.352 . . . . 0.0 113.11 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.547 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 15.6 m80 -46.63 -55.3 7.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.493 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.588 ' HA ' HG22 ' A' ' 45' ' ' VAL . 4.2 pp -74.79 -32.86 62.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.905 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.455 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 1.3 m-20 -57.42 -22.06 40.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.203 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -87.01 -43.21 12.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.399 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.754 HG21 HD23 ' A' ' 75' ' ' LEU . 35.0 m -75.38 135.91 26.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.869 0.366 . . . . 0.0 111.271 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.93 -123.7 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.589 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -140.62 164.09 31.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 111.069 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.94 HG21 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -99.45 139.02 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.867 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 p -76.84 159.87 29.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -62.65 -42.79 99.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.621 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.848 ' HA ' HD12 ' A' ' 54' ' ' ILE . 78.9 mt-10 -58.84 -32.82 69.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -72.35 -50.25 28.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 179.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.94 HD21 HG21 ' A' ' 48' ' ' ILE . 99.2 mt -63.82 -31.98 73.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 51' ' ' GLU . 22.1 mt -53.9 -44.18 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.07 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -40.06 80.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.618 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CD ' ' HB1' ' A' ' 73' ' ' ALA . 15.5 mttt -68.98 -32.2 71.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.923 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -70.82 -12.69 61.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.448 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.4 mt -62.17 -19.05 62.68 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.974 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.01 41.69 5.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.199 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.6 p -144.14 138.36 28.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.34 . . . . 0.0 110.945 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.14 140.52 29.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -77.09 -32.18 56.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -74.94 -53.05 9.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.0 p -122.52 175.68 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.064 0.459 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 37.6 m95 -105.52 159.32 16.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.427 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -142.88 144.66 32.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.0 t -61.43 132.7 54.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.531 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.754 HD23 HG21 ' A' ' 45' ' ' VAL . 6.2 tp -85.04 -17.35 37.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.71 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.617 ' HG2' HG12 ' A' ' 45' ' ' VAL . 2.1 tm-20 -53.41 125.41 17.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -60.71 -37.42 81.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -20.02 46.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.195 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.402 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.8 t -104.05 150.0 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.069 0.461 . . . . 0.0 111.286 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.6 m -145.49 59.7 1.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.209 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.24 142.21 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.401 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.0 t -104.8 119.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.61 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.0 162.09 25.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.091 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.9 p -103.42 148.43 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.685 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.1 -169.21 31.13 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.053 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.45 -21.79 39.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 111.299 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.4 m -62.23 -17.2 57.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.31 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.99 -70.72 0.74 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.228 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 89' ' ' VAL . 13.4 t -146.83 16.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 t0 47.4 33.49 2.78 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.943 0.401 . . . . 0.0 111.25 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -55.45 -35.56 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.614 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -60.74 -36.57 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.543 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.454 HG22 ' OE1' ' A' ' 97' ' ' GLN . 88.0 m -71.43 -48.9 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.422 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.524 HG22 ' OE1' ' A' ' 98' ' ' GLU . 3.7 mt -58.15 -51.51 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.957 0.408 . . . . 0.0 110.367 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.11 -35.9 76.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.014 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -59.67 -42.26 92.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.825 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.454 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.75 -48.83 52.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.829 0.347 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.524 ' OE1' HG22 ' A' ' 94' ' ' ILE . 1.7 mt-10 -50.32 -48.67 55.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.076 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 52.1 p -103.59 10.45 36.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm 58.05 22.14 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 111.289 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 99' ' ' THR . 54.7 m170 -87.32 96.5 10.37 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.808 ' C ' HD22 ' A' ' 103' ' ' LEU . 30.2 m-85 -91.53 29.89 1.41 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.562 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.808 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.2 mm? -132.55 117.35 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 0.0 110.863 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.7 t -135.29 137.54 42.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 111' ' ' ARG . 11.9 p -120.41 125.35 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 9.7 p30 -81.19 123.54 28.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.52 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.716 HD23 HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.29 -16.88 61.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.44 -179.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -27.09 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.753 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.93 -10.26 11.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.603 0.24 . . . . 0.0 111.583 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 110' ' ' LEU . 15.8 mt 60.77 29.61 19.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.792 0.329 . . . . 0.0 111.051 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.612 ' O ' HG23 ' A' ' 105' ' ' VAL . 22.3 mtt180 -114.07 158.33 21.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.82 150.18 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 69.0 t-105 -131.1 140.37 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.967 0.413 . . . . 0.0 111.39 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.0 t -113.09 112.33 23.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -69.24 -42.06 76.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.602 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.547 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.96 -52.61 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 111.106 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.8 m -69.93 -30.05 67.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.419 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.26 52.0 0.05 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.768 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.3 OUTLIER -176.51 170.16 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.85 136.33 34.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.785 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 42' ' ' LEU . 4.1 m -126.1 168.89 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.0 p90 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.496 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.485 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.13 -44.24 2.64 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.776 2.317 . . . . 0.0 113.088 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.769 ' HB3' HD21 ' A' ' 103' ' ' LEU . 18.5 m80 -46.44 -55.17 7.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.457 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 43' ' ' ASP . 4.1 pp -75.82 -36.45 59.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.527 ' N ' HD12 ' A' ' 42' ' ' LEU . 24.7 t0 -59.66 -22.09 61.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.3 p -85.21 -43.04 14.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 111.311 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 42' ' ' LEU . 34.2 m -76.14 156.92 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.215 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.03 155.38 16.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.33 157.04 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.594 HD11 ' O ' ' A' ' 74' ' ' CYS . 31.7 mt -100.1 148.78 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.1 p -76.93 160.54 29.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -61.92 -30.2 70.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' O ' HG22 ' A' ' 54' ' ' ILE . 3.9 tp10 -62.3 -46.86 86.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.67 -35.77 67.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.709 HD23 ' HD2' ' A' ' 56' ' ' LYS . 20.4 mt -71.42 -31.81 67.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.6 tp -53.36 -42.39 47.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.414 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 1.2 mp0 -68.55 -40.79 80.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.518 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.709 ' HD2' HD23 ' A' ' 53' ' ' LEU . 30.9 mttm -69.15 -32.24 71.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.074 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 p -72.58 -12.76 61.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.585 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.22 -19.11 62.82 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.695 0.283 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.551 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.43 50.99 3.42 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.984 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.9 p -144.25 138.56 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.0 t -86.95 142.7 27.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.773 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.512 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.05 -28.06 54.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.23 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -89.38 -52.16 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.106 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.9 p -118.56 -164.26 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.882 0.372 . . . . 0.0 110.746 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.551 HD12 ' HA2' ' A' ' 59' ' ' GLY . 9.8 mt . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.831 0.348 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 24.5 m95 -107.47 159.08 16.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.554 ' HB1' ' HD3' ' A' ' 56' ' ' LYS . . . -140.34 143.3 35.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.594 ' O ' HD11 ' A' ' 48' ' ' ILE . 21.2 t -58.69 133.05 55.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 103' ' ' LEU . 24.7 tp -83.49 -20.2 34.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.503 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.3 OUTLIER -53.34 119.9 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 110.993 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.05 -35.25 71.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -78.59 -28.07 45.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 2.7 t -94.3 149.31 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 p -142.3 50.34 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.565 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -99.32 146.29 26.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.211 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.642 HG22 ' HG2' ' A' ' 56' ' ' LYS . 11.1 t -112.47 128.83 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.712 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.33 164.4 26.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.786 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.0 p -103.45 140.45 37.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.655 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.96 -171.16 2.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.845 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -17.04 62.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.65 0.262 . . . . 0.0 111.315 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -18.74 62.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.063 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.36 -70.85 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.069 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 89' ' ' VAL . 14.7 t -143.76 16.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.644 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.46 32.5 3.36 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.917 0.389 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -37.18 65.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.655 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -36.37 78.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.586 HG22 ' OE1' ' A' ' 97' ' ' GLN . 85.8 m -70.15 -49.53 49.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.34 -49.59 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.304 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -58.57 -39.23 79.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.997 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.7 t -58.39 -41.7 85.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.691 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.586 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.51 -48.76 54.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.905 0.383 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.32 -48.61 55.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.907 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.474 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 58.8 p -108.43 17.67 21.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.538 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 99' ' ' THR . 6.9 ptpt 50.93 23.32 1.42 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 99' ' ' THR . 63.9 m170 -83.65 95.95 8.53 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.64 ' C ' HD22 ' A' ' 103' ' ' LEU . 17.8 m-85 -88.44 14.07 10.49 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 41' ' ' HIS . 2.5 mm? -116.54 117.17 29.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.809 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.418 HG23 ' HB3' ' A' ' 113' ' ' TRP . 5.0 t -136.64 138.96 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.2 p -120.89 125.37 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.352 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 2.7 p30 -81.19 121.81 26.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.651 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.32 -11.48 60.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.659 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -40.2 22.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.743 0.306 . . . . 0.0 111.724 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.31 -6.79 14.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.715 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 110' ' ' LEU . 14.7 mt 60.5 35.16 20.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -114.08 149.73 35.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.9 t -102.49 150.17 6.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.223 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 75.8 t-105 -131.22 141.16 49.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.5 t -118.07 108.91 15.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.694 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 54.5 m-85 -69.23 -39.76 78.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.457 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.475 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.86 -52.71 63.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.98 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.7 m -69.11 -30.07 68.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.452 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 m 77.83 50.43 0.04 OUTLIER 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.57 174.81 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.954 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.78 142.83 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.41 ' HB ' HD22 ' A' ' 42' ' ' LEU . 9.1 m -127.79 178.11 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.4 p90 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.509 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.383 0 CA-C-O 120.688 0.28 . . . . 0.0 110.536 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.38 -43.05 3.23 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.688 2.259 . . . . 0.0 113.169 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.558 ' HB3' HD21 ' A' ' 103' ' ' LEU . 19.2 m80 -47.51 -55.14 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.282 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 39' ' ' CYS . 4.0 pp -75.35 -36.03 61.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.881 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.493 ' N ' HD12 ' A' ' 42' ' ' LEU . 27.8 t70 -56.33 -21.99 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -85.97 -43.1 13.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.293 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.471 HG21 HD23 ' A' ' 75' ' ' LEU . 13.4 m -69.91 155.34 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 111.267 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.18 -130.82 3.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.451 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.58 153.18 46.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.335 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.477 HG21 ' CD2' ' A' ' 53' ' ' LEU . 28.8 mm -91.59 142.64 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.4 p -78.96 160.07 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.758 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' HG12 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -59.61 -47.45 85.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.795 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.86 -31.26 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.23 -51.0 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.477 ' CD2' HG21 ' A' ' 48' ' ' ILE . 40.9 mt -62.75 -32.46 73.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 50' ' ' LYS . 14.8 mm -55.81 -44.0 76.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -47.65 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.373 . . . . 0.0 110.731 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.915 ' HG2' HG22 ' A' ' 82' ' ' VAL . 3.5 mttt -64.59 -32.18 73.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 p -72.4 -12.44 61.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.529 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.06 -19.0 62.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.641 0.258 . . . . 0.0 111.021 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.733 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 88.95 45.89 4.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.378 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.411 ' N ' HD11 ' A' ' 71' ' ' LEU . 69.2 p -144.23 138.16 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.97 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.4 t -87.12 138.84 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.783 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.11 -27.71 54.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -53.04 5.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.218 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.6 p -121.12 -165.73 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.808 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.733 HD12 ' HA2' ' A' ' 59' ' ' GLY . 4.9 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.881 0.372 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -117.16 133.73 55.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.029 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.428 ' HB1' ' NZ ' ' A' ' 56' ' ' LYS . . . -118.86 145.69 45.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.001 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.6 t -57.22 140.16 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.714 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.524 HD22 ' CG1' ' A' ' 112' ' ' VAL . 15.1 tp -90.59 -15.51 30.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.836 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 7.2 tp10 -53.47 142.8 21.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.712 0.291 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -70.51 -38.35 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -26.51 27.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.445 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.5 t -96.19 135.6 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.952 0.406 . . . . 0.0 111.172 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.15 48.63 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.232 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -84.36 148.32 26.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.411 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.915 HG22 ' HG2' ' A' ' 56' ' ' LYS . 18.9 t -111.52 116.49 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.655 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -132.82 167.59 23.19 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.914 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 p -107.02 144.49 33.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.52 -173.62 13.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.933 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -20.69 47.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.59 0.233 . . . . 0.0 111.259 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.24 -19.03 62.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.047 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.81 -67.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.955 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 89' ' ' VAL . 14.0 t -148.98 17.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.778 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t0 46.76 30.93 1.28 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.897 0.379 . . . . 0.0 111.167 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.23 -38.33 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.708 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -36.93 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.525 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.423 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 26.8 m -70.22 -52.7 21.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.52 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.5 -47.76 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.385 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.96 -38.87 83.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.087 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 93' ' ' THR . 10.2 t -57.98 -43.67 86.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.758 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 93' ' ' THR . 0.7 OUTLIER -70.84 -48.71 52.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.931 0.396 . . . . 0.0 111.076 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -48.6 55.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.193 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.441 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.2 p -103.32 10.41 37.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.2 mttm 59.17 21.87 10.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.65 0.262 . . . . 0.0 111.263 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 99' ' ' THR . 52.8 m170 -89.37 96.15 10.59 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.75 ' C ' HD22 ' A' ' 103' ' ' LEU . 29.3 m-85 -89.71 22.78 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.679 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.75 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.0 mm? -124.03 117.17 24.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.919 0.39 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.6 t -138.02 135.88 36.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.675 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 105' ' ' VAL . 14.0 p -120.16 121.57 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.354 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -76.28 120.82 22.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.432 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.48 HD11 ' HB3' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.27 -8.28 53.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.791 -179.663 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 m -81.1 -34.54 32.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.715 0.293 . . . . 0.0 111.261 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.61 -8.1 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.567 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 mt 63.66 33.36 13.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 0.0 110.976 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.1 138.79 49.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.524 ' CG1' HD22 ' A' ' 75' ' ' LEU . 21.2 t -93.91 150.23 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.412 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 65.1 t-105 -131.6 142.42 49.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.337 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.3 t -114.74 111.94 22.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.63 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -69.3 -42.05 75.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.53 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.492 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.66 -52.49 64.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.965 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.3 -30.1 69.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.462 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.7 p 77.15 47.71 0.06 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.412 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -171.89 173.06 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.958 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -83.36 148.34 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.974 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 m -136.14 169.35 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.398 0 CA-C-O 120.769 0.318 . . . . 0.0 110.468 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HA ' ' HB3' ' A' ' 43' ' ' ASP . 48.8 Cg_endo -68.42 -44.01 3.74 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.686 2.257 . . . . 0.0 113.185 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.642 ' HB3' HD21 ' A' ' 103' ' ' LEU . 17.4 m80 -47.26 -55.16 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.686 0.279 . . . . 0.0 111.331 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.512 ' HA ' HG22 ' A' ' 45' ' ' VAL . 4.1 pp -75.98 -32.51 59.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.95 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.44 ' N ' HD12 ' A' ' 42' ' ' LEU . 35.4 t70 -62.3 -22.16 65.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.235 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.0 p -85.18 -43.3 13.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.197 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.782 HG21 HD23 ' A' ' 75' ' ' LEU . 27.1 m -70.71 126.11 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 111.169 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.63 -171.88 0.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.44 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.12 145.09 26.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.431 HD13 ' CD2' ' A' ' 53' ' ' LEU . 8.3 tt -87.92 146.7 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -88.67 160.1 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -59.58 -44.54 93.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.856 ' HA ' HD12 ' A' ' 54' ' ' ILE . 6.0 mm-40 -58.77 -33.09 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.775 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -72.31 -43.5 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.752 179.809 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 48' ' ' ILE . 28.3 mt -70.9 -32.04 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.041 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 51' ' ' GLU . 22.7 mt -55.15 -41.77 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.11 -47.88 75.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 110.525 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.85 ' HG2' HG22 ' A' ' 82' ' ' VAL . 4.1 mttp -65.86 -32.18 73.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.857 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 p -71.48 -12.44 61.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.533 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.96 -19.07 62.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.94 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.629 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 89.85 44.35 4.84 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.3 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.5 p -144.15 138.19 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.014 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.7 t -87.25 144.36 26.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.794 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.556 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.13 -34.09 56.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.233 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -81.31 -53.17 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.199 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.5 p -121.2 -165.24 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.629 HD12 ' HA2' ' A' ' 59' ' ' GLY . 8.9 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.876 0.369 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.538 ' CE3' HG23 ' A' ' 104' ' ' THR . 19.6 m95 -114.19 160.03 19.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.832 ' HB1' ' CE ' ' A' ' 56' ' ' LYS . . . -142.99 141.05 31.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.35 132.69 51.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.781 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.782 HD23 HG21 ' A' ' 45' ' ' VAL . 5.2 tp -84.63 -15.12 46.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.625 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.635 ' CD ' HG12 ' A' ' 45' ' ' VAL . 9.3 tp10 -56.42 134.07 53.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -65.94 -40.09 91.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.35 -24.52 50.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 76' ' ' GLU . 1.5 t -100.06 134.25 43.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 111.166 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 t -127.89 39.85 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.375 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -87.82 148.55 24.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.286 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.85 HG22 ' HG2' ' A' ' 56' ' ' LYS . 5.7 t -113.85 129.53 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.677 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -142.99 161.33 27.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.882 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.7 p -103.52 142.63 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.706 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.66 -164.94 6.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.065 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.86 -18.83 47.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.595 0.236 . . . . 0.0 111.468 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -62.13 -18.18 60.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.727 0.298 . . . . 0.0 111.145 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -122.89 -73.12 0.66 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 89' ' ' VAL . 13.9 t -144.35 17.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.642 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.1 t0 52.63 32.06 11.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.41 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -54.68 -37.12 65.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.671 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.404 ' HG ' ' HG1' ' A' ' 104' ' ' THR . 0.2 OUTLIER -59.61 -36.79 77.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.565 179.625 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.484 HG22 ' OE1' ' A' ' 97' ' ' GLN . 92.1 m -71.27 -49.84 38.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.499 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.16 -50.61 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.258 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -59.33 -37.78 78.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.071 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.2 t -58.73 -42.9 89.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.727 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.484 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.64 -48.89 52.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.841 0.353 . . . . 0.0 110.933 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.05 -48.68 52.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.06 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.442 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 49.0 p -105.24 11.91 32.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mttp 56.99 22.17 6.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.685 0.278 . . . . 0.0 111.285 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.1 m170 -87.51 96.39 10.38 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.803 ' C ' HD22 ' A' ' 103' ' ' LEU . 21.9 m-85 -90.84 29.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.67 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.803 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.4 mm? -132.26 117.19 17.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.853 0.358 . . . . 0.0 111.016 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.538 HG23 ' CE3' ' A' ' 72' ' ' TRP . 15.3 t -134.16 139.15 45.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.739 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.6 p -120.17 120.62 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 0.0 111.285 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.4 ' HB3' ' CE2' ' A' ' 72' ' ' TRP . 7.7 p30 -80.87 119.69 23.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.585 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -72.09 -11.91 60.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.55 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -45.34 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.163 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.06 -0.08 11.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.548 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.7 mt 62.27 40.97 10.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.809 0.338 . . . . 0.0 111.092 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.14 148.28 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.8 t -105.09 150.13 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.034 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 73.7 t-105 -131.39 140.09 49.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 111.298 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.5 t -115.03 110.86 20.23 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.556 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 41.6 m-85 -69.24 -42.06 76.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.554 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.506 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.77 -52.54 65.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.907 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.7 m -69.25 -30.19 68.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.327 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 m 76.19 51.93 0.06 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.718 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.431 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.61 178.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -85.38 149.48 25.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.7 m -138.89 164.75 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 17.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.527 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.353 0 CA-C-O 120.711 0.291 . . . . 0.0 110.548 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.03 -45.4 3.02 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.714 2.276 . . . . 0.0 113.132 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 13.8 m80 -45.8 -54.98 7.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.482 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.68 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.2 pp -73.45 -39.11 65.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.601 ' N ' HD12 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -56.82 -21.73 31.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.394 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 t -80.87 -43.09 20.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.745 0.307 . . . . 0.0 111.157 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 42' ' ' LEU . 35.4 m -66.39 157.13 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.153 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.23 -129.02 2.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -140.57 157.98 44.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.332 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.521 HG21 HD21 ' A' ' 53' ' ' LEU . 1.8 tt -110.25 144.6 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 p -94.2 159.91 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.999 0.428 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -29.56 70.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -58.93 -46.79 87.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.811 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -72.55 -44.65 61.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.521 HD21 HG21 ' A' ' 48' ' ' ILE . 14.3 mt -59.5 -31.79 69.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.389 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -57.66 -44.29 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.35 . . . . 0.0 111.039 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 2.8 tm0? -69.02 -40.9 78.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HE3' HD11 ' A' ' 48' ' ' ILE . 29.5 mttm -69.05 -32.45 71.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.947 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -70.76 -12.49 61.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.382 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.89 -19.07 62.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.708 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.696 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 88.7 51.32 3.09 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.42 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.7 p -144.18 138.34 28.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.922 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.4 t -87.24 138.17 31.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.816 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -30.06 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.136 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -78.47 -53.07 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.183 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.0 p -125.25 -174.4 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.032 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.737 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.696 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.0 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.011 0.434 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -109.24 145.43 35.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.92 136.59 47.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.82 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.75 131.99 48.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.955 0.407 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.487 HD13 ' HB ' ' A' ' 105' ' ' VAL . 11.5 tp -84.71 -14.15 49.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.797 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.83 134.91 48.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.791 0.329 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -65.93 -38.49 88.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.075 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -19.36 37.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.314 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -106.02 125.13 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 111.168 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -123.12 43.37 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -90.18 148.11 23.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.269 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.6 t -114.27 127.66 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.85 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -135.15 165.56 24.63 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.809 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.6 p -103.34 144.68 31.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.708 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.5 -163.32 5.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.88 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -13.42 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.544 0.211 . . . . 0.0 111.529 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -17.57 58.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.187 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.4 -76.82 0.56 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.597 0.237 . . . . 0.0 111.214 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 89' ' ' VAL . 13.0 t -135.81 14.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.864 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 t0 50.87 37.19 16.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.891 0.377 . . . . 0.0 110.833 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -54.34 -36.58 63.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.707 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -37.5 81.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.563 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.48 HG22 ' OE1' ' A' ' 97' ' ' GLN . 87.1 m -70.83 -52.57 19.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.744 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.17 -49.82 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.012 0.434 . . . . 0.0 110.392 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -58.2 -39.49 79.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.174 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 t -58.24 -44.48 88.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.832 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.48 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.2 OUTLIER -70.75 -48.9 51.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.897 0.38 . . . . 0.0 111.071 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.42 -48.62 56.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.214 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 41.5 p -103.62 11.65 35.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 57.83 21.99 8.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.795 0.331 . . . . 0.0 111.274 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 99' ' ' THR . 58.2 m170 -88.38 96.35 10.56 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.756 ' C ' HD22 ' A' ' 103' ' ' LEU . 26.4 m-85 -90.79 22.77 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.674 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.756 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.8 mm? -123.01 117.01 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.911 0.386 . . . . 0.0 110.788 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.4 t -139.04 132.43 30.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.487 ' HB ' HD13 ' A' ' 75' ' ' LEU . 12.3 p -120.19 122.49 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 111.391 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -78.45 126.35 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.212 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.6 -34.66 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.714 -179.382 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.03 -30.74 70.03 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.98 -15.79 14.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.658 0.266 . . . . 0.0 111.518 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 110' ' ' LEU . 13.3 mt 62.39 28.22 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.298 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 105' ' ' VAL . 3.0 mtt85 -114.34 150.71 34.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.029 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 t -104.28 146.09 12.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.443 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 71.7 t-105 -127.38 142.54 51.4 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 111.57 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 25.5 t -118.17 111.34 18.71 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.442 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -69.29 -42.06 75.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.709 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.473 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -58.39 -52.63 64.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.986 0.422 . . . . 0.0 110.715 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.5 m -69.81 -30.05 67.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.057 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.2 m 74.67 51.78 0.09 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.719 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.443 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 1.9 ptmt -176.53 178.26 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.406 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.47 147.51 30.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.649 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.3 m -147.0 166.6 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.931 0.396 . . . . 0.0 111.293 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.843 179.862 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.509 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 120.746 0.308 . . . . 0.0 110.584 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 56.5 Cg_endo -70.12 -42.47 3.0 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.74 2.294 . . . . 0.0 113.141 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.537 ' HB3' HD21 ' A' ' 103' ' ' LEU . 21.3 m80 -48.34 -55.34 10.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.341 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.626 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.1 pp -75.66 -36.12 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.008 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.491 ' N ' HD12 ' A' ' 42' ' ' LEU . 11.5 m-20 -55.05 -21.93 14.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.524 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.34 -43.02 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 111.388 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 42' ' ' LEU . 20.7 m -67.24 -176.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.398 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.54 -136.04 4.54 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.402 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -140.58 154.75 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.331 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.533 ' HB ' HD21 ' A' ' 53' ' ' LEU . 29.8 mt -105.25 150.55 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.7 p -76.76 160.1 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.66 -32.46 72.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.775 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.478 ' O ' HG22 ' A' ' 54' ' ' ILE . 9.7 tp10 -61.7 -42.8 99.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -43.94 62.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.109 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.533 HD21 ' HB ' ' A' ' 48' ' ' ILE . 34.3 mt -65.89 -32.0 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.407 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -55.67 -41.76 66.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.838 0.351 . . . . 0.0 111.103 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.406 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 39.6 mt-30 -66.95 -42.67 84.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.569 ' CD ' HG22 ' A' ' 82' ' ' VAL . 14.7 mttt -69.05 -32.31 71.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.235 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.9 p -74.51 -12.68 60.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.523 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.26 -19.13 62.9 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.716 0.294 . . . . 0.0 111.091 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.536 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 92.77 45.74 3.58 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.966 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.0 p -144.04 138.58 28.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 111.013 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.4 t -86.87 139.98 30.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.03 -30.0 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.95 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.68 -53.07 5.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -114.27 -172.6 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.034 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 pttm . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.536 HD12 ' HA2' ' A' ' 59' ' ' GLY . 10.1 mt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.983 0.421 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.426 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.4 m95 -115.4 143.32 45.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.155 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.66 145.34 49.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.809 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.0 t -57.4 131.86 51.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.56 HD23 HG21 ' A' ' 45' ' ' VAL . 13.0 tp -78.43 -23.98 46.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.595 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.4 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.8 tp10 -53.54 120.03 5.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 110.954 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -57.08 -35.93 69.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.201 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -78.91 -21.23 47.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.8 t -104.7 122.82 46.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.207 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.42 73.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.461 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -121.3 142.79 49.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.414 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.569 HG22 ' CD ' ' A' ' 56' ' ' LYS . 9.6 t -106.35 120.55 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.632 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -130.85 167.55 22.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.853 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.4 p -107.91 147.48 30.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.907 0.384 . . . . 0.0 110.718 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.83 -169.16 35.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.948 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -56.05 -20.95 19.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.642 0.258 . . . . 0.0 111.526 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -62.17 -18.24 60.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.82 -70.62 0.74 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.022 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.9 t -146.54 16.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.82 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.28 33.12 2.43 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.997 0.427 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -54.37 -34.22 60.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.686 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -39.67 87.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.688 HG23 ' CE2' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -69.93 -48.77 57.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.521 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.31 -49.38 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.281 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.415 ' HA ' ' HG2' ' A' ' 98' ' ' GLU . 8.0 t60 -58.97 -37.07 75.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.113 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 t -61.45 -41.84 97.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.226 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.416 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.83 -49.76 42.79 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.861 -179.253 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.512 ' HG3' HG23 ' A' ' 99' ' ' THR . 26.5 pt-20 -55.24 -48.11 74.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 98' ' ' GLU . 49.4 p -97.17 9.43 42.18 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp 55.51 22.3 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.681 0.277 . . . . 0.0 111.227 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 99' ' ' THR . 61.3 m170 -87.46 96.17 10.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.037 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.795 ' C ' HD22 ' A' ' 103' ' ' LEU . 21.0 m-85 -88.99 27.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.763 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.795 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.9 mm? -128.0 116.56 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.424 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.9 t -136.29 131.69 34.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.592 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.517 ' HB ' HD13 ' A' ' 75' ' ' LEU . 12.0 p -120.16 119.3 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.406 . . . . 0.0 111.382 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 3.6 p30 -73.83 120.47 19.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.419 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.32 -13.56 61.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.584 -179.621 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -30.43 31.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.683 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.33 -8.96 11.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.583 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.5 mt 61.77 30.47 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 111.024 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -114.17 140.77 48.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 28.7 t -97.38 150.16 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.229 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 71.3 t-105 -131.0 141.68 50.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.6 t -117.74 112.52 20.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.608 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.688 ' CE2' HG23 ' A' ' 93' ' ' THR . 42.7 m-85 -69.23 -42.1 76.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.641 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.507 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.87 -52.54 65.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.933 0.397 . . . . 0.0 110.977 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.8 m -68.97 -30.17 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 m 76.45 52.18 0.05 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.686 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.42 177.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.057 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -88.53 146.44 25.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.405 HG21 ' CD2' ' A' ' 42' ' ' LEU . 7.7 m -134.69 172.07 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.16 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.515 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 120.718 0.294 . . . . 0.0 110.62 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 43' ' ' ASP . 46.1 Cg_endo -68.01 -44.47 3.87 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.735 2.29 . . . . 0.0 113.19 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.653 ' HB3' HD21 ' A' ' 103' ' ' LEU . 23.4 m80 -47.5 -55.51 8.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 111.292 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.606 ' HA ' HG22 ' A' ' 45' ' ' VAL . 3.8 pp -75.16 -31.51 61.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.912 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 29.3 t70 -60.51 -22.05 63.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.064 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.59 -43.27 12.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.242 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.675 HG21 HD23 ' A' ' 75' ' ' LEU . 27.0 m -73.01 125.25 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.76 -151.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.515 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -121.12 147.07 46.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 0.0 111.057 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.644 HD11 ' HB3' ' A' ' 52' ' ' ASP . 16.9 tt -83.59 144.61 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.8 p -81.36 159.82 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.95 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -32.53 74.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.824 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -61.7 -41.82 98.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.034 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.644 ' HB3' HD11 ' A' ' 48' ' ' ILE . 1.7 m-20 -72.48 -46.64 53.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.694 HD22 HD23 ' A' ' 107' ' ' LEU . 56.4 mt -62.95 -31.93 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.359 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.4 tp -55.77 -42.59 70.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 111.092 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 32.3 tt0 -68.63 -47.24 67.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.604 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.523 ' HD3' HG22 ' A' ' 82' ' ' VAL . 45.2 mttt -63.96 -32.24 73.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.91 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 p -70.03 -12.82 61.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.502 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 19.7 mt -62.4 -19.06 63.04 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.703 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 89.6 45.98 4.44 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.257 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.404 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 69.3 p -144.19 138.64 28.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 37.1 t -86.86 137.96 31.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.817 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -77.19 -34.25 56.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.66 -53.07 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.33 -174.91 3.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.728 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.703 HD12 ' HA2' ' A' ' 59' ' ' GLY . 3.6 mt . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.793 0.33 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 31.3 m95 -111.06 149.01 31.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -135.98 142.05 44.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.0 t -56.83 135.31 55.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.796 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.675 HD23 HG21 ' A' ' 45' ' ' VAL . 15.9 tp -85.43 -15.85 41.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.693 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.471 ' HG2' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -56.2 129.21 39.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.768 0.318 . . . . 0.0 110.844 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -62.61 -36.56 83.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.206 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -83.87 -20.6 32.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.341 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.9 t -103.26 127.56 50.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 111.195 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -127.8 69.44 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.44 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -112.97 146.78 38.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.263 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.523 HG22 ' HD3' ' A' ' 56' ' ' LYS . 14.8 t -109.34 120.99 61.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.822 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.09 163.81 25.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.818 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.2 p -103.28 135.47 44.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 110.684 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.33 -165.02 0.61 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.777 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -65.2 -14.72 61.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.626 0.25 . . . . 0.0 111.396 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.9 m -62.32 -18.58 61.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.165 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.47 -78.86 0.6 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.688 0.28 . . . . 0.0 111.251 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.9 t -131.08 17.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.706 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 50.88 30.76 5.44 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -53.4 -40.19 64.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 m -59.04 -36.52 75.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.605 HG22 ' OE1' ' A' ' 97' ' ' GLN . 29.5 m -69.56 -51.57 34.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.673 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -56.03 -51.44 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.512 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -57.58 -39.5 76.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.198 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 t -58.02 -43.43 86.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.798 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.605 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.2 OUTLIER -70.81 -48.76 52.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.869 0.366 . . . . 0.0 110.913 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.6 -48.67 48.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.051 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.436 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.5 p -105.83 12.05 31.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 mttt 57.28 22.01 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 111.305 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 99' ' ' THR . 58.6 m170 -86.85 96.34 10.18 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.788 ' C ' HD22 ' A' ' 103' ' ' LEU . 19.3 m-85 -90.19 25.76 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.635 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.788 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.0 mm? -128.53 117.52 21.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 0.0 111.059 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.6 t -137.04 136.08 38.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.778 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 105' ' ' VAL . 14.6 p -120.26 122.34 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.342 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.3 p30 -77.72 124.34 27.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.249 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.694 HD23 HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.51 -21.24 61.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.954 -179.293 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m -78.43 -26.97 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.94 -9.41 10.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.605 0.241 . . . . 0.0 111.644 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.0 mt 59.11 30.76 20.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.302 . . . . 0.0 111.074 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -114.19 143.96 43.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.983 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.416 ' HB ' HG23 ' A' ' 121' ' ' VAL . 21.4 t -100.43 150.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.297 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -129.93 142.16 50.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 t -116.9 112.23 20.75 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.779 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.42 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 45.1 m-85 -69.36 -42.04 75.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.537 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.533 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.49 -52.47 65.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.071 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.5 m -69.05 -30.02 68.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.345 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.2 m 76.83 54.4 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.714 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.81 -179.89 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -92.88 137.78 32.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.416 HG23 ' HB ' ' A' ' 112' ' ' VAL . 5.3 m -122.42 162.56 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 120.81 0.338 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 48.6 Cg_endo -68.26 -44.91 3.12 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.816 2.344 . . . . 0.0 113.101 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 15.6 m80 -46.96 -55.24 8.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.41 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.9 pp -75.31 -34.1 61.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.031 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.46 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 3.0 m-20 -57.23 -21.99 37.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.253 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m -85.61 -43.17 13.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.587 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.663 HG21 HD23 ' A' ' 75' ' ' LEU . 35.5 m -70.11 162.39 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 111.305 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.17 -130.69 6.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -140.53 165.53 27.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.699 HG21 HD21 ' A' ' 53' ' ' LEU . 15.9 tt -107.24 141.22 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.015 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.8 p -77.16 159.98 29.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' O ' HG12 ' A' ' 54' ' ' ILE . 3.7 tttp -60.0 -45.64 92.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.778 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -37.94 76.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.571 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -66.68 -41.02 88.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.464 179.586 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.726 HD22 HD23 ' A' ' 107' ' ' LEU . 85.1 mt -71.84 -31.77 66.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 54' ' ' ILE . 10.6 mm -54.71 -46.88 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.868 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.553 ' OE1' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -66.47 -40.43 89.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.481 179.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.624 ' HG2' HG22 ' A' ' 82' ' ' VAL . 17.3 mttp -68.95 -32.3 71.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.984 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.3 p -71.68 -12.34 61.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.436 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.553 HD12 ' OE1' ' A' ' 55' ' ' GLN . 18.7 mt -61.85 -19.05 62.18 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.715 0.293 . . . . 0.0 110.964 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.51 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 91.81 46.02 3.78 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.551 -0.833 . . . . 0.0 113.457 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 p -144.18 137.78 27.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.0 t -87.45 143.66 27.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.668 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.458 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.14 -42.24 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.88 -53.09 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.22 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.3 p -127.2 -176.93 3.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.99 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mttt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.631 179.835 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.51 HD12 ' HA2' ' A' ' 59' ' ' GLY . 7.3 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.822 0.344 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.456 ' CE3' HG23 ' A' ' 104' ' ' THR . 25.2 m95 -126.15 145.84 50.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.435 ' HB1' ' CE ' ' A' ' 56' ' ' LYS . . . -128.97 141.02 51.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.09 133.03 55.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.659 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.663 HD23 HG21 ' A' ' 45' ' ' VAL . 5.7 tp -89.07 -10.14 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.963 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.7 OUTLIER -53.89 142.79 23.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.826 0.346 . . . . 0.0 110.935 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -69.26 -43.38 74.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -80.86 -22.52 39.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.182 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.0 OUTLIER -101.15 150.03 23.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.928 0.394 . . . . 0.0 111.224 -179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.8 m -150.54 43.93 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.394 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -87.29 148.56 25.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.292 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.624 HG22 ' HG2' ' A' ' 56' ' ' LYS . 2.7 t -108.93 122.3 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.68 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.88 164.05 24.45 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.796 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.6 p -103.38 139.18 39.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.699 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.69 -175.74 4.68 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.857 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.95 -20.31 56.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.711 0.291 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.9 m -62.28 -20.18 64.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.057 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -118.36 -67.96 0.95 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 89' ' ' VAL . 15.1 t -145.32 16.29 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.589 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.5 t0 48.13 28.3 1.48 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.959 0.409 . . . . 0.0 111.193 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.83 -38.01 64.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.759 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.9 t -58.72 -37.7 76.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.531 HG22 ' OE1' ' A' ' 97' ' ' GLN . 89.0 m -71.04 -49.31 46.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.637 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -57.36 -51.46 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.924 0.392 . . . . 0.0 110.331 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -58.88 -37.91 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.076 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t -57.91 -43.25 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.765 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.531 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.58 -48.78 53.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.912 0.387 . . . . 0.0 110.936 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.69 -48.66 39.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.043 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.437 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.5 p -107.18 11.83 29.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 mttm 58.12 22.11 8.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.616 0.246 . . . . 0.0 111.355 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 99' ' ' THR . 53.3 m170 -86.73 96.41 10.15 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.698 ' O ' HD22 ' A' ' 103' ' ' LEU . 35.8 m-85 -92.02 26.2 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.823 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.741 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.6 mm? -129.89 119.5 23.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.944 0.402 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.456 HG23 ' CE3' ' A' ' 72' ' ' TRP . 8.8 t -138.97 141.42 38.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.934 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 105' ' ' VAL . 13.8 p -120.22 119.11 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.92 0.39 . . . . 0.0 111.203 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -73.17 121.29 20.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.729 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.726 HD23 HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -72.18 -9.95 59.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.678 -179.764 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -33.53 29.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.632 0.253 . . . . 0.0 111.485 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.03 -4.89 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.69 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 mt 59.9 34.46 21.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.769 0.318 . . . . 0.0 110.954 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 105' ' ' VAL . 14.5 mtp180 -114.11 151.69 32.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.9 t -102.75 150.14 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -132.79 139.74 47.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.417 . . . . 0.0 111.305 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 15.6 t -112.85 111.64 22.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.442 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -69.25 -41.99 76.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.656 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.444 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.63 -52.63 64.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 110.951 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.7 m -69.13 -30.06 68.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.46 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 p 76.88 46.51 0.08 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.584 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.94 -178.47 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.93 138.7 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.27 165.2 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 37.9 p90 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.97 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.422 ' O ' ' OD2' ' A' ' 43' ' ' ASP . 58.1 Cg_endo -71.05 -26.06 22.0 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.026 2.484 . . . . 0.0 113.796 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.524 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.0 m80 -67.81 -53.56 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.669 0.271 . . . . 0.0 111.543 -179.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.86 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.7 pp -78.52 -37.55 42.74 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 40' ' ' PRO . 8.5 p-10 -59.36 -21.58 60.05 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.426 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.6 m -83.61 -43.19 15.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.722 0.296 . . . . 0.0 111.411 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.609 HG21 HD23 ' A' ' 75' ' ' LEU . 35.5 m -68.82 139.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.239 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.59 -136.59 0.9 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -140.53 160.38 40.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.55 HG22 ' HB2' ' A' ' 52' ' ' ASP . 27.7 mt -106.77 149.14 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.7 p -76.87 160.12 29.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -40.4 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.73 ' HA ' HD12 ' A' ' 54' ' ' ILE . 1.5 mm-40 -58.86 -38.32 78.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.55 ' HB2' HG22 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -72.39 -43.31 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.9 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.05 -31.89 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 51' ' ' GLU . 16.1 mt -56.16 -46.66 81.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.459 ' HA ' HD12 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -64.07 -41.49 97.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.93 0.395 . . . . 0.0 110.418 179.659 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.691 ' HG2' HG22 ' A' ' 82' ' ' VAL . 23.4 mttt -69.06 -32.19 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.847 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.8 p -71.44 -12.51 61.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.362 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 55' ' ' GLN . 17.5 mt -61.88 -19.04 62.22 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.651 0.263 . . . . 0.0 110.928 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.669 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.91 51.57 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.594 -0.813 . . . . 0.0 113.424 178.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.422 ' O ' HG11 ' A' ' 82' ' ' VAL . 0.8 OUTLIER -144.19 138.43 28.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.063 179.384 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.2 t -87.03 135.13 33.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.15 -4.71 45.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.539 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -109.0 -53.13 2.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.705 0.288 . . . . 0.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.14 -171.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.962 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.267 -179.666 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.669 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.1 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.916 0.388 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 16.0 m95 -115.15 148.1 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.37 141.74 48.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.8 t -56.01 132.2 49.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.609 HD23 HG21 ' A' ' 45' ' ' VAL . 8.0 tp -83.15 -19.86 35.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.844 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 13.5 tp10 -53.29 128.31 27.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -60.78 -40.76 93.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.253 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 mmm-85 -77.91 -17.06 57.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.518 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 76' ' ' GLU . 1.4 t -108.41 125.7 52.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.914 0.388 . . . . 0.0 111.289 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.4 p -126.11 70.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -118.39 148.6 42.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.371 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.691 HG22 ' HG2' ' A' ' 56' ' ' LYS . 6.6 t -108.21 129.71 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.621 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -139.41 162.6 26.11 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.868 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 21.2 p -103.45 144.69 31.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.588 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.64 -158.13 17.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.86 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.28 -18.57 50.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.654 0.264 . . . . 0.0 111.346 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -18.2 60.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.232 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -126.28 -78.82 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.651 0.262 . . . . 0.0 111.181 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.0 t -143.16 17.26 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.74 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.81 37.43 24.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.601 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 m -61.98 -36.36 81.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.394 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.498 HG22 ' OE1' ' A' ' 97' ' ' GLN . 5.4 m -70.93 -47.52 58.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.415 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.5 mt -58.1 -49.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.183 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -59.96 -38.12 81.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.932 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -58.08 -43.29 86.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.604 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.498 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -68.01 -48.58 65.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.795 0.331 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -50.57 -48.71 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.902 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.465 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 58.5 p -107.42 17.18 23.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.617 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 51.3 22.39 1.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 99' ' ' THR . 63.9 m170 -82.63 96.2 8.03 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.412 ' HB3' ' HB2' ' A' ' 115' ' ' TYR . 35.7 m-85 -87.95 12.79 12.36 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.86 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.6 mm? -114.1 118.88 35.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.024 0.44 . . . . 0.0 111.22 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.438 HG23 ' CE3' ' A' ' 72' ' ' TRP . 12.3 t -139.11 132.47 30.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.845 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.468 ' HB ' HD13 ' A' ' 75' ' ' LEU . 12.9 p -120.41 123.24 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.242 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.1 p30 -76.45 122.66 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.394 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.55 -17.05 61.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.817 -179.456 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.421 ' HG1' ' N ' ' A' ' 71' ' ' LEU . 23.4 m -82.22 -31.52 30.24 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.649 0.241 . . . . 0.0 111.649 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -12.87 13.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.666 0.27 . . . . 0.0 111.554 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.2 mt 62.75 30.55 16.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.282 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -114.28 139.08 49.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.931 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.2 t -94.42 150.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.422 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 73.7 t-105 -131.98 141.84 49.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.434 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.5 t -115.17 110.12 19.02 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.412 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 20.5 m-85 -69.16 -42.11 76.35 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.641 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.524 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.48 -52.66 64.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.948 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.8 m -69.96 -30.21 67.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.406 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.85 52.75 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.639 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.422 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -174.13 173.29 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.022 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -88.91 136.37 33.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.1 m -127.61 177.56 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 15.1 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 120.753 0.311 . . . . 0.0 110.634 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.84 -43.81 2.38 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.774 2.316 . . . . 0.0 113.102 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.8 m80 -47.12 -55.23 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.357 -179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.839 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.2 pp -75.37 -37.06 60.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.957 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.507 ' N ' HD12 ' A' ' 42' ' ' LEU . 10.7 t70 -54.77 -22.07 13.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.374 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.2 m -83.09 -43.07 16.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.268 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 42' ' ' LEU . 21.9 m -60.05 167.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.299 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -104.46 -122.71 5.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -140.57 155.45 46.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.668 HG21 HD21 ' A' ' 53' ' ' LEU . 4.1 tt -109.86 138.99 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.9 p -83.98 159.84 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.044 0.449 . . . . 0.0 111.307 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -63.61 -33.1 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.816 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.6 tm-20 -58.89 -43.2 90.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.778 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.43 -46.48 54.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.784 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.668 HD21 HG21 ' A' ' 48' ' ' ILE . 18.6 mt -62.15 -31.88 72.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.325 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.7 tt -55.2 -42.26 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 111.109 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -68.62 -42.91 77.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.645 179.766 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' CD ' ' HB1' ' A' ' 73' ' ' ALA . 42.7 mttt -68.05 -32.2 72.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.916 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.5 p -71.86 -12.78 61.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.469 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.19 -19.1 62.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.654 0.264 . . . . 0.0 110.969 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.17 45.2 4.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.709 -0.758 . . . . 0.0 113.07 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -144.4 138.71 27.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.902 0.382 . . . . 0.0 111.006 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.6 t -86.89 143.05 27.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -37.62 53.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.3 -53.08 13.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.4 p -120.61 178.56 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.943 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.99 0.424 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 18.0 m95 -107.05 162.26 14.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.47 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -143.08 142.28 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 t -57.1 131.71 50.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.722 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.553 HD23 HG21 ' A' ' 45' ' ' VAL . 19.6 tp -83.55 -14.57 51.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.873 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 6.9 tp10 -54.77 138.61 41.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.818 0.342 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -66.75 -42.67 85.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -24.17 41.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.159 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -101.05 122.8 44.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.36 . . . . 0.0 111.158 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.6 m -125.04 51.68 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.395 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -96.0 148.62 22.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.327 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 t -105.61 128.65 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.822 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.77 159.41 26.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.719 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.9 p -103.39 143.08 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.78 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.52 -167.7 14.05 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.921 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.87 -19.78 45.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.668 0.27 . . . . 0.0 111.41 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.26 -18.22 60.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.168 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -123.21 -73.18 0.65 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.052 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 89' ' ' VAL . 14.7 t -143.18 15.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.728 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t0 50.76 32.45 7.09 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.911 0.386 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -54.78 -37.36 65.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.788 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.4 m -58.97 -36.59 75.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.595 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.457 HG22 ' OE1' ' A' ' 97' ' ' GLN . 95.9 m -72.12 -48.84 40.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.518 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.29 -50.85 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.994 0.425 . . . . 0.0 110.276 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -60.4 -36.26 77.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.963 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -59.21 -42.46 91.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.457 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.64 -48.7 53.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -49.48 -48.65 47.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.978 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.438 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.2 p -106.98 12.76 28.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.59 22.19 6.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.661 0.267 . . . . 0.0 111.375 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.8 m170 -86.74 96.33 10.13 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.769 ' C ' HD22 ' A' ' 103' ' ' LEU . 34.7 m-85 -92.15 26.07 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.453 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.769 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.8 mm? -125.39 117.01 22.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.939 0.4 . . . . 0.0 110.784 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.6 t -137.62 134.59 35.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.8 p -120.15 126.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.948 0.404 . . . . 0.0 111.259 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 9.2 p30 -78.99 123.17 27.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.361 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -72.53 -17.44 61.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.824 -179.555 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 -27.51 32.58 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.36 -10.47 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.7 mt 60.97 29.87 19.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -114.28 136.68 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.525 HG11 HD22 ' A' ' 75' ' ' LEU . 20.4 t -93.3 150.18 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 56.5 t-105 -132.1 145.41 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.014 0.435 . . . . 0.0 111.369 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 24.9 t -116.71 113.05 22.08 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.544 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -69.27 -42.21 75.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.757 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.528 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.15 -52.59 64.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.991 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.1 m -69.76 -30.24 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.537 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.5 m 75.85 53.12 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.629 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.436 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.31 173.75 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.072 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -86.24 139.32 31.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.591 HG21 HD23 ' A' ' 42' ' ' LEU . 11.7 m -136.18 -179.34 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.6 p90 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.54 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 120.736 0.303 . . . . 0.0 110.535 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.65 -45.07 2.56 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.737 2.291 . . . . 0.0 113.059 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.551 ' HB3' HD21 ' A' ' 103' ' ' LEU . 19.4 m80 -46.48 -55.26 7.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.448 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 39' ' ' CYS . 4.0 pp -74.35 -37.32 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.829 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.518 ' N ' HD12 ' A' ' 42' ' ' LEU . 34.8 t0 -57.66 -21.84 42.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.406 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.3 -43.05 15.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.431 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 42' ' ' LEU . 30.9 m -69.22 -178.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.327 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.32 -159.2 10.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.457 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -115.25 148.02 39.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.782 0.325 . . . . 0.0 110.955 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.582 HD11 ' O ' ' A' ' 74' ' ' CYS . 26.0 mt -95.06 148.64 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -77.22 160.02 29.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.65 -31.57 71.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 54' ' ' ILE . 4.9 tt0 -60.64 -44.82 95.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.43 -45.3 60.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.098 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.33 -31.72 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.365 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -53.53 -42.44 49.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -68.62 -41.82 78.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.64 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HD3' HG22 ' A' ' 82' ' ' VAL . 9.7 mttm -69.02 -32.24 71.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.089 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.5 p -73.75 -12.57 60.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.429 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.9 mt -62.28 -19.06 62.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.623 0.249 . . . . 0.0 110.989 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 90.24 45.34 4.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.987 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 78.8 p -144.05 138.5 28.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.953 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.4 t -86.88 137.72 32.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.769 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.584 ' NE2' HG23 ' A' ' 82' ' ' VAL . 42.8 mt-30 -76.37 -28.5 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.95 -52.97 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.7 p -124.4 -166.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.762 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 pttm . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 120.96 0.41 . . . . 0.0 110.741 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.447 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.2 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.897 0.379 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 25.2 m95 -110.94 150.93 28.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' CB ' ' HD2' ' A' ' 56' ' ' LYS . . . -135.13 140.33 45.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.582 ' O ' HD11 ' A' ' 48' ' ' ILE . 16.2 t -55.63 135.61 51.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.946 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.525 HD22 ' CG1' ' A' ' 112' ' ' VAL . 16.8 tp -86.22 -20.27 28.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.544 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.453 ' OE2' HG12 ' A' ' 45' ' ' VAL . 4.9 tp10 -53.45 126.73 22.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.859 0.362 . . . . 0.0 110.994 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -62.11 -35.15 77.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -79.56 -26.17 41.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.8 t -98.1 150.05 21.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.117 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 p -144.23 53.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.353 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -97.58 146.65 25.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.424 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.584 HG23 ' NE2' ' A' ' 62' ' ' GLN . 22.2 t -113.56 114.95 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.614 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -132.33 164.71 23.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.943 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.5 p -103.45 139.19 39.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.982 0.42 . . . . 0.0 110.648 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.61 -169.35 0.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.941 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -65.01 -19.08 65.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.633 0.254 . . . . 0.0 111.298 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -18.6 62.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.166 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.17 -70.97 0.76 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.709 0.29 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.8 t -143.03 18.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.636 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.45 28.61 4.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.772 0.32 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -41.6 66.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 m -59.21 -35.4 73.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.54 HG22 ' OE1' ' A' ' 97' ' ' GLN . 58.8 m -70.51 -52.55 21.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.01 -51.23 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -57.19 -39.99 76.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.035 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.7 t -58.01 -42.75 85.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.673 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.54 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.56 -49.03 52.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.381 . . . . 0.0 110.946 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.46 -48.59 47.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.001 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 46.8 p -107.8 13.67 26.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.711 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 55.51 22.32 5.03 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.639 0.257 . . . . 0.0 111.516 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.7 m170 -85.74 96.17 9.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.654 ' C ' HD22 ' A' ' 103' ' ' LEU . 23.7 m-85 -88.72 16.31 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.742 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.654 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.7 mm? -117.91 117.35 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 111.027 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.5 t -135.95 134.37 38.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.787 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 111' ' ' ARG . 14.9 p -120.21 123.02 69.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.942 0.401 . . . . 0.0 111.218 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.7 p30 -79.21 121.87 25.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.49 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.33 -11.52 60.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.559 -179.716 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -32.22 30.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.464 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.33 -9.37 11.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.601 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 110' ' ' LEU . 13.0 mt 62.0 32.9 17.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.941 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.535 ' O ' HG23 ' A' ' 105' ' ' VAL . 16.9 mmm180 -114.14 154.4 27.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.952 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.525 ' CG1' HD22 ' A' ' 75' ' ' LEU . 21.3 t -106.34 150.11 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -130.38 140.88 50.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.5 t -117.48 110.59 18.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.831 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 50.1 m-85 -69.36 -41.15 76.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.46 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.501 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.71 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 m -69.53 -29.99 67.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.301 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.66 53.9 0.06 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.29 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.96 176.26 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.034 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -87.87 136.12 33.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.792 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.413 HG23 ' HB ' ' A' ' 112' ' ' VAL . 8.7 m -122.47 166.54 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.26 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 30.1 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 120.756 0.313 . . . . 0.0 110.624 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.12 -44.6 3.59 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.707 2.271 . . . . 0.0 113.099 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.527 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 19.2 m80 -47.49 -55.17 9.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.343 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.558 HD21 ' HB3' ' A' ' 39' ' ' CYS . 4.1 pp -73.57 -34.2 65.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.741 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.475 ' N ' HD12 ' A' ' 42' ' ' LEU . 15.6 t70 -58.95 -21.82 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.256 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.21 -43.22 13.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.716 0.293 . . . . 0.0 111.41 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.698 HG21 HD23 ' A' ' 75' ' ' LEU . 34.1 m -71.7 159.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.141 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.21 -135.15 8.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.404 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -140.42 153.96 46.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.695 HD11 ' O ' ' A' ' 74' ' ' CYS . 25.8 mt -92.13 149.16 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.2 p -76.81 159.98 29.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' O ' HG12 ' A' ' 54' ' ' ILE . 9.8 mmtm -59.16 -44.1 92.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -33.93 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.245 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.56 ' HB2' HG22 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -72.36 -49.71 32.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.739 0.305 . . . . 0.0 110.85 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.7 mt -62.35 -31.91 72.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 50' ' ' LYS . 9.3 mm -56.16 -44.89 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.594 ' HA ' HD12 ' A' ' 58' ' ' LEU . 16.2 mt-30 -68.6 -39.81 80.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.567 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.62 ' HE3' HD13 ' A' ' 48' ' ' ILE . 20.6 mttm -67.63 -32.11 72.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.795 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.0 p -69.57 -12.81 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.648 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 55' ' ' GLN . 3.1 mt -62.05 -19.16 62.61 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.905 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.94 49.25 3.86 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.747 -0.739 . . . . 0.0 113.277 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -144.43 138.57 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 0.0 110.977 179.508 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.2 t -86.9 138.53 31.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.788 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -77.08 -28.05 54.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 91' ' ' HIS . 17.1 t0 -81.22 -53.06 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.225 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.9 p -119.03 -174.66 2.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.42 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 59' ' ' GLY . 4.9 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.948 0.404 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 15.7 m95 -111.2 161.32 16.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.136 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.42 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -143.07 139.2 30.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.695 ' O ' HD11 ' A' ' 48' ' ' ILE . 14.0 t -55.24 135.15 49.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.698 HD23 HG21 ' A' ' 45' ' ' VAL . 5.9 tp -89.85 -10.38 45.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.894 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.415 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.1 OUTLIER -55.41 142.78 31.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -67.3 -45.36 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.212 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -20.78 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.415 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.1 t -103.11 128.94 49.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.979 0.419 . . . . 0.0 111.254 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -129.05 41.72 3.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.352 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.98 148.55 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.335 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.424 HG23 ' OE1' ' A' ' 62' ' ' GLN . 11.6 t -109.15 120.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.777 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -129.33 159.76 22.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.778 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.4 p -103.18 138.6 39.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.333 . . . . 0.0 110.774 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.79 -177.05 4.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.917 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.44 -19.04 54.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -19.16 62.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.979 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -120.37 -70.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 89' ' ' VAL . 8.4 t -141.44 14.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.691 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t0 47.51 29.5 1.41 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.918 0.389 . . . . 0.0 111.175 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' A' ' 63' ' ' ASP . 0.9 OUTLIER -55.47 -35.3 65.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.62 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -59.77 -37.73 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.39 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.513 HG22 ' OE1' ' A' ' 97' ' ' GLN . 89.5 m -71.12 -50.31 34.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.604 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.54 -50.72 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.361 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -58.72 -38.39 78.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.111 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 t -58.42 -43.51 88.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.728 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.513 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.52 -48.69 54.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.836 0.351 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -49.16 -48.65 44.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.139 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.472 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 41.6 p -107.87 14.71 25.14 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 55.42 22.16 4.79 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.8 m170 -85.91 96.23 9.73 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.804 ' C ' HD22 ' A' ' 103' ' ' LEU . 24.5 m-85 -91.9 31.21 1.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.58 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.4 mm? -133.14 117.78 17.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.427 HG23 ' CE3' ' A' ' 72' ' ' TRP . 9.0 t -138.27 136.68 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 105' ' ' VAL . 14.8 p -120.22 126.12 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 2.1 p30 -80.07 123.02 27.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.437 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.413 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.36 -17.96 61.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.834 -179.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -27.06 33.25 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.07 -5.37 10.51 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.7 mt 56.73 32.32 20.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.807 0.337 . . . . 0.0 111.077 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -114.16 147.42 38.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.5 t -105.05 150.07 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 60.2 t-105 -131.64 142.62 49.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.967 0.413 . . . . 0.0 111.445 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 16.8 t -114.88 112.67 23.1 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.452 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 23.6 m-85 -69.46 -42.06 75.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.667 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.527 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.97 -52.72 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.411 . . . . 0.0 110.901 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.8 m -68.97 -30.09 68.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.236 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 m 75.01 54.41 0.07 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.732 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.418 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.36 -179.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.214 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.75 147.65 25.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.79 165.78 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.0 p90 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.535 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.344 0 CA-C-O 120.719 0.295 . . . . 0.0 110.678 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.51 -44.42 4.57 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.823 2.349 . . . . 0.0 113.103 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.487 ' HB3' HD21 ' A' ' 103' ' ' LEU . 21.2 m80 -46.43 -55.19 7.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.461 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 39' ' ' CYS . 3.9 pp -74.15 -36.45 64.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.495 ' N ' HD12 ' A' ' 42' ' ' LEU . 1.4 m-20 -58.05 -21.96 47.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.358 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -83.75 -43.18 15.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.385 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.766 HG21 HD23 ' A' ' 75' ' ' LEU . 27.4 m -71.69 172.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.302 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.39 -139.38 7.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.5 164.7 29.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.349 . . . . 0.0 110.948 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.669 ' HB ' HD21 ' A' ' 53' ' ' LEU . 22.3 mt -112.93 150.77 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.051 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.4 p -76.82 160.05 29.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -63.11 -29.15 70.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 54' ' ' ILE . 21.0 pt-20 -66.09 -41.78 90.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -45.52 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.012 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.669 HD21 ' HB ' ' A' ' 48' ' ' ILE . 20.7 mt -63.44 -31.86 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.252 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.3 tt -54.23 -42.17 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.129 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.409 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -68.53 -44.66 74.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.58 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.821 ' HD3' HG22 ' A' ' 82' ' ' VAL . 50.9 mttt -66.47 -32.29 73.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.157 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.9 p -72.83 -12.61 61.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.438 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.6 mt -62.12 -19.13 62.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.65 0.262 . . . . 0.0 111.037 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.83 50.49 2.29 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.09 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.406 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 34.0 p -144.17 138.33 28.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -87.02 140.75 29.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.591 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.02 -24.92 52.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.32 -52.96 4.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -116.01 -168.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.985 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.981 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.8 mt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.767 0.317 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.441 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 13.1 m95 -109.37 151.42 26.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.45 ' HB2' HD11 ' A' ' 107' ' ' LEU . . . -129.29 138.51 51.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.982 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -58.58 125.2 22.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.747 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.766 HD23 HG21 ' A' ' 45' ' ' VAL . 5.2 tp -80.02 -16.36 55.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.648 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.39 117.13 2.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.759 0.314 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -55.94 -37.06 68.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -76.67 -21.98 54.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 t -101.94 150.12 23.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 111.099 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.06 68.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.42 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -127.96 148.58 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.29 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.821 HG22 ' HD3' ' A' ' 56' ' ' LYS . 13.0 t -111.84 129.28 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.844 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.38 165.75 24.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.76 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.0 p -103.39 142.01 34.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.828 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.63 -171.96 11.09 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.865 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -20.17 46.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.671 0.272 . . . . 0.0 111.36 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -62.12 -18.81 61.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -68.1 0.92 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 89' ' ' VAL . 9.8 t -147.68 17.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.764 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t0 47.26 31.03 1.61 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.842 0.354 . . . . 0.0 111.18 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -54.39 -37.71 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.744 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.547 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.545 HG22 ' OE1' ' A' ' 97' ' ' GLN . 30.8 m -71.05 -49.92 39.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.584 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -57.8 -50.33 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.386 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -58.87 -38.85 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.059 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 t -58.05 -43.67 87.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.545 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.6 -48.76 53.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.846 0.355 . . . . 0.0 111.031 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -49.71 -48.71 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.106 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.447 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 45.6 p -105.07 11.36 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt 57.94 22.08 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.643 0.258 . . . . 0.0 111.325 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 99' ' ' THR . 55.2 m170 -87.25 96.21 10.25 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.515 ' C ' HD22 ' A' ' 103' ' ' LEU . 21.6 m-85 -87.24 10.71 16.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.924 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.9 mm? -109.79 117.09 32.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.397 . . . . 0.0 110.932 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.6 t -137.55 129.99 29.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.663 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.559 ' HB ' HD13 ' A' ' 75' ' ' LEU . 11.9 p -120.36 120.52 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 111.572 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 5.5 p30 -71.64 120.07 16.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.306 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.32 -14.93 61.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.718 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -82.0 -28.78 32.4 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.93 -8.21 10.29 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 110' ' ' LEU . 10.4 mt 61.44 32.7 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.345 . . . . 0.0 110.708 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -113.96 135.66 53.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.4 t -94.46 150.15 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.274 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.426 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 66.9 t-105 -132.36 143.21 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.0 t -117.72 111.42 19.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.724 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -69.22 -42.12 76.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.596 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.476 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.16 -52.53 65.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.956 0.408 . . . . 0.0 110.826 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.19 -30.21 68.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.337 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.02 51.14 0.06 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.622 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.426 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -173.59 174.27 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.037 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -86.16 145.94 26.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.59 174.43 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.247 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 28.0 p90 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.867 0.365 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -99.75 61.39 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -154.0 157.33 38.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.412 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -77.52 135.77 64.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.704 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -67.97 -46.14 2.58 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.896 2.397 . . . . 0.0 113.093 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 17.0 m80 -45.47 -54.82 6.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.513 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.709 ' HB3' HD11 ' A' ' 103' ' ' LEU . 4.0 pp -74.06 -38.38 63.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.456 ' N ' HD12 ' A' ' 42' ' ' LEU . 58.3 t0 -57.29 -21.79 37.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.431 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.8 p -81.45 -43.05 19.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.797 0.332 . . . . 0.0 111.214 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.612 HG21 HD23 ' A' ' 75' ' ' LEU . 27.5 m -72.03 158.49 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.18 -133.42 8.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -140.58 152.97 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.44 HD11 ' O ' ' A' ' 74' ' ' CYS . 32.7 mt -103.36 148.81 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.8 p -76.93 160.06 29.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -61.04 -32.42 72.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.77 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 54' ' ' ILE . 18.0 mp0 -59.58 -45.45 91.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.43 -40.34 67.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.079 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.652 HD23 ' HE2' ' A' ' 56' ' ' LYS . 20.1 mt -68.44 -31.9 71.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.254 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.6 tp -54.68 -42.5 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.841 0.353 . . . . 0.0 111.221 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 1.3 mm-40 -68.44 -43.97 75.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.741 ' CD ' HG22 ' A' ' 82' ' ' VAL . 1.8 mtmm -67.29 -32.34 73.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.076 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.5 p -73.29 -12.59 60.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.434 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.2 mt -62.24 -19.08 62.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.636 0.255 . . . . 0.0 111.105 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.66 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 91.02 48.9 3.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.024 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.408 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 61.0 p -144.05 138.51 28.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.342 . . . . 0.0 110.954 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.7 t -86.83 136.3 33.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.777 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.558 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -75.23 -17.88 60.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.91 -50.86 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 111.14 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.402 ' SG ' HG13 ' A' ' 66' ' ' VAL . 31.7 p -122.26 -168.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -126.74 78.9 1.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.807 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.402 HG13 ' SG ' ' A' ' 64' ' ' CYS . 9.9 m -100.03 -26.89 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.29 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 65.12 131.83 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.63 -171.04 0.93 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.569 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.24 -167.44 4.8 Favored 'Cis proline' 0 C--N 1.345 0.374 0 C-N-CA 123.181 -1.591 . . . . 0.0 112.361 -0.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 65.84 76.54 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.771 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.66 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.2 mt -134.1 148.27 50.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 24.7 m95 -116.18 157.24 25.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.243 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB1' ' HD2' ' A' ' 56' ' ' LYS . . . -142.37 138.97 31.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.056 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.44 ' O ' HD11 ' A' ' 48' ' ' ILE . 14.4 t -57.27 128.53 37.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.612 HD23 HG21 ' A' ' 45' ' ' VAL . 5.8 tp -82.7 -17.95 42.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.511 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 112.36 0.9 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -51.7 -32.81 31.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.213 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -80.09 -22.4 42.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.3 t -103.62 149.97 24.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 111.227 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 m -142.02 64.61 1.39 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.594 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.52 148.55 37.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.225 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.741 HG22 ' CD ' ' A' ' 56' ' ' LYS . 21.4 t -114.22 118.9 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.802 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.26 161.18 24.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.795 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 p -103.41 146.79 27.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.303 . . . . 0.0 110.649 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -172.12 25.67 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.128 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -21.12 21.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.709 0.29 . . . . 0.0 111.432 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.4 m -62.2 -17.53 58.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.177 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.74 -72.32 0.66 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 89' ' ' VAL . 15.5 t -141.58 12.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 t0 48.73 30.79 2.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -55.38 -35.67 65.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t -60.53 -36.99 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.508 HG22 ' OE1' ' A' ' 97' ' ' GLN . 87.2 m -70.71 -49.42 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.425 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.9 mt -58.17 -50.94 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.301 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -58.95 -37.3 76.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.133 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 t -59.21 -44.17 92.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.775 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.508 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.56 -48.83 53.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.88 0.371 . . . . 0.0 110.92 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.16 -48.64 53.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.112 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.44 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 42.2 p -104.85 11.85 33.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.8 mttp 57.17 22.02 7.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.635 0.255 . . . . 0.0 111.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.6 m170 -87.79 96.36 10.43 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.728 ' C ' HD22 ' A' ' 103' ' ' LEU . 30.1 m-85 -89.96 22.12 3.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.806 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.2 mm? -121.21 117.23 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.933 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 t -138.15 133.11 32.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.501 HG23 ' C ' ' A' ' 111' ' ' ARG . 14.5 p -120.15 125.44 74.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.281 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.455 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.3 p30 -78.44 123.51 27.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.16 -9.0 57.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.576 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.99 -40.95 52.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.769 0.319 . . . . 0.0 111.44 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.08 -4.77 10.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.626 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 mt 62.58 40.58 10.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.501 ' C ' HG23 ' A' ' 105' ' ' VAL . 12.7 mmt180 -114.02 142.64 45.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.744 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.771 HG21 HD23 ' A' ' 123' ' ' LEU . 27.1 t -95.49 150.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -133.25 140.45 47.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.9 t -114.33 111.76 22.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -69.27 -42.07 76.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.427 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.443 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.94 -52.42 65.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.936 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.88 -30.04 68.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.371 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.9 p 76.92 46.84 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.779 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.58 178.58 4.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.47 136.58 32.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.31 170.87 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -123.12 142.37 50.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.771 HD23 HG21 ' A' ' 112' ' ' VAL . 3.3 mm? -105.98 116.8 32.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.12 153.54 40.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -90.33 -31.7 16.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -137.52 134.4 35.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.809 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 19.3 mt -102.62 -78.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 100.93 54.14 0.99 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 29.7 m -109.5 -31.72 7.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.769 0.318 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -167.61 170.75 10.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -80.62 171.38 15.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -86.48 134.84 37.18 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.539 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.6 -45.08 2.6 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.794 2.329 . . . . 0.0 113.161 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 15.6 m80 -46.55 -55.17 7.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.368 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.742 ' HB3' HD11 ' A' ' 103' ' ' LEU . 4.0 pp -75.03 -35.44 61.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.909 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -58.64 -21.99 55.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -84.53 -43.18 14.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 111.315 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.778 HG21 HD23 ' A' ' 75' ' ' LEU . 31.4 m -75.33 143.68 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 111.2 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -83.8 -129.52 1.67 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.436 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -139.97 164.56 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.844 HD11 ' O ' ' A' ' 74' ' ' CYS . 32.7 mt -105.18 150.69 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.9 p -80.06 160.06 25.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.716 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -58.59 -42.33 87.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.955 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.638 ' HA ' HD12 ' A' ' 54' ' ' ILE . 3.6 tt0 -58.83 -36.56 74.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.455 ' HB2' HG22 ' A' ' 48' ' ' ILE . 5.3 m-20 -72.34 -41.56 66.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.0 mt -71.67 -31.96 67.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 51' ' ' GLU . 27.4 mt -58.35 -46.85 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.825 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -63.84 -40.79 97.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.999 0.428 . . . . 0.0 110.515 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.782 ' HG2' HG22 ' A' ' 82' ' ' VAL . 5.6 mttp -69.05 -32.22 71.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.96 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -72.16 -12.42 61.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.61 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.19 -19.09 62.75 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.987 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.501 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 90.47 47.88 3.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.626 -0.797 . . . . 0.0 113.303 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.6 p -144.21 138.22 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.434 ' CB ' HG12 ' A' ' 66' ' ' VAL . 38.9 t -87.33 142.57 27.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.576 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.13 -41.75 40.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.47 -53.2 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.1 p -116.08 172.17 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -99.02 73.35 1.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.518 HG21 ' OE1' ' A' ' 88' ' ' GLN . 8.2 p -118.01 149.3 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -95.13 144.12 26.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.01 -137.17 0.21 Allowed Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.522 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.15 -42.93 0.65 Allowed 'Cis proline' 0 C--N 1.347 0.485 0 C-N-CA 123.36 -1.517 . . . . 0.0 112.284 0.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.569 ' N ' HG21 ' A' ' 108' ' ' THR . 1.7 m-20 -44.62 107.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.277 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.501 HD12 ' HA2' ' A' ' 59' ' ' GLY . 8.6 mt -154.28 144.77 22.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.011 0.434 . . . . 0.0 111.154 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.496 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.2 m95 -112.28 147.25 36.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.638 ' HB1' ' HE2' ' A' ' 56' ' ' LYS . . . -128.74 144.43 51.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.01 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.844 ' O ' HD11 ' A' ' 48' ' ' ILE . 27.6 t -56.38 134.21 53.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.779 HD21 HD23 ' A' ' 123' ' ' LEU . 4.6 tp -84.82 -18.25 35.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.727 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.541 ' HG2' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -53.39 128.18 27.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.9 0.381 . . . . 0.0 110.994 -179.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -63.1 -37.06 85.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.42 -22.39 41.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.181 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.7 147.77 25.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.915 0.388 . . . . 0.0 111.058 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.47 64.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.422 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -110.8 148.53 32.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.341 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.782 HG22 ' HG2' ' A' ' 56' ' ' LYS . 3.4 t -109.08 129.66 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.832 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.99 161.51 27.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.781 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 p -103.52 142.88 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.662 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.09 -169.96 8.02 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.936 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.64 -19.78 51.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 111.368 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 t -62.2 -18.45 61.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.111 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.518 ' OE1' HG21 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -121.67 -70.29 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.986 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 89' ' ' VAL . 10.5 t -148.02 18.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.665 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 t0 47.53 32.01 2.23 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.938 0.399 . . . . 0.0 111.234 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.3 -35.18 62.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.4 t -58.65 -39.71 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.363 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.601 HG22 ' OE1' ' A' ' 97' ' ' GLN . 89.9 m -70.33 -45.44 66.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.2 mt -57.92 -51.02 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.039 0.447 . . . . 0.0 110.251 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.54 -37.72 79.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 t -57.99 -42.63 85.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.633 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.601 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.61 -48.82 53.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.847 0.356 . . . . 0.0 110.959 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -49.12 -48.68 44.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.119 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.469 ' HG1' ' CE1' ' A' ' 101' ' ' HIS . 47.3 p -106.57 11.79 30.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt 57.71 22.12 8.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.602 0.239 . . . . 0.0 111.274 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.469 ' CE1' ' HG1' ' A' ' 99' ' ' THR . 55.9 m170 -86.85 96.32 10.17 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.706 ' C ' HD22 ' A' ' 103' ' ' LEU . 32.7 m-85 -88.19 22.75 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.1 mm? -124.6 117.5 24.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -135.06 133.33 39.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.835 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 111' ' ' ARG . 12.2 p -120.44 120.02 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.357 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 3.2 p30 -74.73 121.19 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.484 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.22 -13.57 61.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.505 -179.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.569 HG21 ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -82.11 -32.02 30.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.603 -179.43 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.402 ' HB ' ' HG2' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -114.17 -9.45 12.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.524 -179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 110' ' ' LEU . 20.1 mt 62.85 30.77 16.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.194 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.502 ' O ' HG23 ' A' ' 105' ' ' VAL . 17.0 mmt180 -114.15 153.34 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.829 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.47 150.06 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 65.0 t-105 -130.62 141.0 50.43 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.974 0.416 . . . . 0.0 111.384 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 15.7 t -112.48 110.0 19.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.413 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 10.1 m-85 -69.22 -40.64 77.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.573 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.486 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.07 -52.64 64.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.942 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.9 m -70.24 -30.13 67.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.46 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.61 49.01 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.656 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.57 164.06 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.936 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -72.73 144.79 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.6 m -136.14 159.32 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.192 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -123.61 127.67 48.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.779 HD23 HD21 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -102.54 161.38 13.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.867 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -143.3 174.34 10.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -31.3 69.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.78 115.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 mt 63.43 -79.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.721 ' O ' HG23 ' A' ' 129' ' ' THR . . . 88.19 65.78 1.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.557 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 128' ' ' GLY . 0.6 OUTLIER -174.11 -40.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.945 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.782 0.325 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.23 -77.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CD2' HD21 ' A' ' 42' ' ' LEU . 13.8 p-80 -135.04 -51.85 0.78 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.07 132.78 23.82 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.555 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 49.3 Cg_endo -68.58 -46.11 2.07 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.846 2.364 . . . . 0.0 113.226 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 12.1 m80 -45.65 -55.18 6.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.497 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.824 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.8 pp -77.25 -32.83 55.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 1.6 m-20 -57.03 -21.8 33.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.182 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.42 -43.18 14.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.322 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.524 HG21 HD23 ' A' ' 75' ' ' LEU . 26.8 m -74.1 136.45 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 111.206 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.49 -120.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.438 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -140.55 153.35 46.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.534 HD13 ' CD2' ' A' ' 53' ' ' LEU . 20.2 tt -102.0 149.06 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -92.69 160.01 15.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -62.91 -29.32 70.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.45 ' O ' HG22 ' A' ' 54' ' ' ILE . 31.2 tt0 -61.06 -46.9 88.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.7 -37.39 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' CD2' HD13 ' A' ' 48' ' ' ILE . 53.2 mt -69.78 -31.85 70.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.305 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.8 tp -54.85 -43.59 68.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 111.274 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.427 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 4.2 mt-30 -68.43 -43.19 77.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.663 ' HD3' HG22 ' A' ' 82' ' ' VAL . 1.8 mttt -69.13 -32.27 71.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.157 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 p -75.62 -12.46 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.717 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 55' ' ' GLN . 20.2 mt -61.91 -18.74 61.31 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.139 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.788 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 91.94 45.0 4.01 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.976 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.621 ' O ' HG11 ' A' ' 82' ' ' VAL . 17.1 p -144.14 138.44 28.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.416 ' HB2' HG22 ' A' ' 66' ' ' VAL . 8.9 t -86.88 138.09 31.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.974 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.1 -26.67 53.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.74 -53.07 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.065 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 31.0 p -113.98 -176.29 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -110.38 107.23 16.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 61' ' ' CYS . 29.0 m -139.46 -179.39 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -134.27 127.02 30.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.49 -175.52 3.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.354 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.36 -157.03 1.28 Allowed 'Cis proline' 0 C--N 1.347 0.473 0 C-N-CA 123.652 -1.395 . . . . 0.0 112.187 0.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.88 73.85 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.788 HD12 ' HA2' ' A' ' 59' ' ' GLY . 12.8 mt -142.14 158.79 43.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.783 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 31.7 m95 -121.78 155.14 35.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.675 ' HB2' HD11 ' A' ' 107' ' ' LEU . . . -136.21 140.04 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 33.7 t -58.49 134.85 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 103' ' ' LEU . 4.3 tp -87.85 -19.81 26.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.636 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 3.4 tp10 -53.27 117.18 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.955 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -53.08 -39.55 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.347 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -10.9 59.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.449 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 76' ' ' GLU . 2.3 t -114.11 150.1 34.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.976 0.417 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -146.99 60.17 1.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.349 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -107.06 145.69 32.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.453 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.663 HG22 ' HD3' ' A' ' 56' ' ' LYS . 14.9 t -102.86 124.66 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.65 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.58 159.18 24.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.77 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.9 p -103.39 142.05 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 110.718 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.4 -164.56 9.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.952 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -19.84 54.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.723 0.296 . . . . 0.0 111.347 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -16.67 56.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.249 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -125.09 -73.25 0.64 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.61 0.243 . . . . 0.0 111.474 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 89' ' ' VAL . 11.6 t -145.34 17.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.09 31.89 12.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.793 0.33 . . . . 0.0 110.999 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.64 -37.59 65.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.769 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -36.89 75.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.432 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -70.7 -48.3 55.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.444 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.9 mt -59.14 -51.54 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.372 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -58.36 -37.07 74.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.078 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -59.35 -45.71 90.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.763 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -48.78 53.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.872 0.368 . . . . 0.0 111.108 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -48.62 56.68 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.455 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.4 p -101.28 9.11 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt 60.44 22.0 11.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.683 0.278 . . . . 0.0 111.094 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 99' ' ' THR . 49.8 m170 -90.08 96.38 10.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -86.57 10.65 14.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.824 HD11 ' HB3' ' A' ' 42' ' ' LEU . 3.6 mm? -114.49 117.76 31.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.033 0.444 . . . . 0.0 111.239 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.0 t -132.51 135.72 46.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.473 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.5 p -120.39 118.66 57.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.889 0.376 . . . . 0.0 111.491 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 7.4 p30 -69.0 120.12 14.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.418 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -72.16 -7.49 49.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.8 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.89 -41.12 26.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.795 0.331 . . . . 0.0 111.362 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.04 -0.21 11.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.663 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.9 mt 58.93 42.53 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.11 137.92 51.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.1 t -92.5 150.1 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -137.67 143.75 41.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 111.292 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.5 t -111.69 110.52 20.95 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.586 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -69.23 -42.18 76.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.591 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.499 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -62.47 -52.68 62.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 111.185 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.5 m -69.95 -30.19 67.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.3 m 76.09 54.46 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.619 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.95 166.27 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.991 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.57 134.27 35.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.7 m -124.2 -179.57 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -123.44 146.02 48.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 mt -64.05 133.15 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.79 118.27 22.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -30.85 69.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.0 mttt 61.56 -178.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.28 152.48 19.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.16 -29.67 0.36 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.511 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 81.2 p -65.36 -49.04 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.972 0.415 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.811 0.339 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -94.34 -68.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -59.96 -176.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.448 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -90.7 132.96 33.46 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.514 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 43' ' ' ASP . 45.8 Cg_endo -68.05 -44.27 4.01 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.774 2.316 . . . . 0.0 113.108 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.775 ' HB3' HD21 ' A' ' 103' ' ' LEU . 18.0 m80 -46.85 -55.22 8.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.457 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HA ' HG22 ' A' ' 45' ' ' VAL . 4.1 pp -76.78 -31.67 57.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.923 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 23.3 t70 -61.18 -22.13 64.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.946 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -86.07 -43.17 13.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.193 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.773 HG12 ' HG2' ' A' ' 76' ' ' GLU . 36.0 m -74.65 127.12 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.32 -149.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.594 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -114.74 163.33 15.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.79 HG21 HD21 ' A' ' 53' ' ' LEU . 1.6 tt -104.08 142.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -80.62 159.97 25.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.036 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -43.25 97.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.862 ' HA ' HD12 ' A' ' 54' ' ' ILE . 3.6 mt-10 -58.81 -34.15 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.764 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.639 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -72.39 -42.51 65.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.626 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.79 HD21 HG21 ' A' ' 48' ' ' ILE . 24.9 mt -71.6 -31.8 67.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 51' ' ' GLU . 21.2 mt -55.29 -47.04 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.618 ' HA ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -64.56 -40.13 95.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 110.389 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.707 ' HG2' HG22 ' A' ' 82' ' ' VAL . 10.6 mttm -68.95 -32.19 71.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.194 0.521 . . . . 0.0 109.936 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 p -70.77 -12.63 61.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.669 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 55' ' ' GLN . 3.3 mt -61.91 -19.02 62.25 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.936 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.623 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.32 46.37 5.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.198 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.411 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 1.6 m -144.46 138.5 27.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.825 0.345 . . . . 0.0 111.031 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.481 ' CB ' HG12 ' A' ' 66' ' ' VAL . 48.6 t -87.08 140.64 29.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.668 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -77.02 -31.32 56.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.318 -179.662 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.443 ' HB3' ' CE1' ' A' ' 91' ' ' HIS . 1.2 t0 -78.72 -53.18 7.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.273 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.3 p -115.83 -179.95 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.057 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.66 78.4 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.744 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.588 HG21 ' CD ' ' A' ' 88' ' ' GLN . 10.8 p -121.89 138.65 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -95.62 130.21 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 69' ' ' PRO . . . -57.02 -167.4 0.08 OUTLIER Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.411 ' O ' ' HA2' ' A' ' 68' ' ' GLY . 8.5 Cg_exo -72.11 -159.68 1.58 Allowed 'Cis proline' 0 C--N 1.346 0.436 0 C-N-CA 123.642 -1.399 . . . . 0.0 112.342 0.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 66.87 73.51 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.61 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.623 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.1 mt -133.99 144.11 48.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.048 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -114.19 159.01 20.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.992 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.43 140.76 32.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.2 t -56.43 131.19 47.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.775 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.83 HD11 HD11 ' A' ' 123' ' ' LEU . 28.0 tp -81.76 -21.63 37.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.483 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.773 ' HG2' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -53.54 114.46 1.53 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 110.956 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -54.53 -35.5 63.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -76.14 -26.87 56.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -96.56 149.98 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 t -142.71 68.02 1.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.704 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -120.35 144.97 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.056 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.707 HG22 ' HG2' ' A' ' 56' ' ' LYS . 5.6 t -111.11 120.37 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.784 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.35 162.94 24.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.778 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.7 p -103.43 146.48 28.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 0.0 110.741 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.76 -163.0 8.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.943 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 pm0 -60.89 -17.55 51.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.594 0.235 . . . . 0.0 111.477 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.5 m -62.23 -18.98 62.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.687 0.28 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.588 ' CD ' HG21 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -122.36 -72.0 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.907 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 89' ' ' VAL . 10.5 t -147.87 20.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.485 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 49.26 35.4 7.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.922 0.392 . . . . 0.0 111.177 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 63' ' ' ASP . 2.0 m170 -55.16 -37.24 66.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.705 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -59.57 -36.33 76.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.448 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.515 HG22 ' OE1' ' A' ' 97' ' ' GLN . 90.3 m -71.16 -49.23 46.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.549 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.03 -50.48 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.262 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -59.39 -37.6 78.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.097 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 t -58.82 -43.26 90.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.78 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.515 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.61 -48.8 53.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -49.52 -48.6 48.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.976 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.44 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.8 p -106.55 12.39 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt 57.02 22.13 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.612 0.244 . . . . 0.0 111.461 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 99' ' ' THR . 57.7 m170 -86.64 96.31 10.07 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.747 ' C ' HD22 ' A' ' 103' ' ' LEU . 23.1 m-85 -90.1 21.08 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.766 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 41' ' ' HIS . 2.5 mm? -123.22 116.87 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.1 t -137.88 139.48 39.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 111' ' ' ARG . 14.7 p -120.2 126.27 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.428 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -83.14 120.96 26.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.458 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.512 HD23 HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.21 -10.04 59.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.58 -179.546 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.64 -35.85 52.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.73 0.3 . . . . 0.0 111.308 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.12 -3.9 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.502 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.6 mt 60.39 35.72 20.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.805 0.336 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 105' ' ' VAL . 26.8 mmt180 -114.05 159.34 20.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.613 HG21 ' HG ' ' A' ' 123' ' ' LEU . 21.6 t -111.72 150.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.424 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 76.6 t-105 -130.91 139.34 50.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.8 110.33 18.92 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.639 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 16.3 m-85 -69.15 -42.04 76.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.618 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.511 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.67 -52.55 65.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.975 0.416 . . . . 0.0 110.936 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.1 m -69.21 -30.12 68.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.496 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 p 77.29 47.68 0.06 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.814 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.424 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -171.26 171.32 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.04 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -85.59 143.41 28.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.437 HG11 ' CD2' ' A' ' 42' ' ' LEU . 3.7 m -127.11 164.43 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -116.23 130.97 57.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.83 HD11 HD11 ' A' ' 75' ' ' LEU . 6.0 mt -71.75 152.33 42.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.859 ' HB2' HD11 ' A' ' 127' ' ' LEU . 9.1 p-10 -91.05 114.17 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -93.74 -41.06 9.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.981 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.693 ' C ' HD12 ' A' ' 127' ' ' LEU . 17.2 mtmm -157.25 -45.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.859 HD11 ' HB2' ' A' ' 124' ' ' ASP . 2.1 mp 69.68 -66.74 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -121.44 -74.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.65 -45.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.846 0.355 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.91 156.13 36.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -160.07 169.57 23.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.433 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -73.72 137.1 77.0 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.591 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 52.2 Cg_endo -68.84 -45.68 2.04 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.761 2.308 . . . . 0.0 113.1 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.4 m80 -46.43 -55.12 7.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.786 0.327 . . . . 0.0 111.41 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.9 pp -74.06 -36.28 64.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.847 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 1.0 OUTLIER -59.86 -21.91 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.247 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 p -82.64 -43.18 17.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.245 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 42' ' ' LEU . 27.6 m -71.89 170.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.367 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.64 -139.28 8.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.461 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -140.35 150.32 43.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.543 ' HB ' HD21 ' A' ' 53' ' ' LEU . 31.8 mt -96.79 152.7 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 p -81.32 159.96 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -30.46 70.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 54' ' ' ILE . 3.8 mt-10 -64.73 -41.94 95.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.44 -44.18 62.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.058 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.543 HD21 ' HB ' ' A' ' 48' ' ' ILE . 31.5 mt -65.06 -31.85 73.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -53.87 -42.48 53.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 111.141 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.402 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 4.6 mt-30 -67.93 -42.22 81.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.653 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.795 ' HD3' HG22 ' A' ' 82' ' ' VAL . 28.7 mttm -68.87 -32.28 71.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.92 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.7 p -72.03 -12.33 61.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.623 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 58' ' ' LEU . 18.3 mt -61.98 -19.06 62.39 Favored 'General case' 0 CA--C 1.528 0.098 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.988 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.79 47.03 2.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.606 -0.806 . . . . 0.0 113.41 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.405 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 16.7 p -144.18 137.96 27.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.448 ' CB ' HG12 ' A' ' 66' ' ' VAL . 43.8 t -87.37 141.77 28.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.45 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.26 -34.33 55.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.441 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -75.09 -53.14 9.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.462 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.3 p -126.64 -176.58 3.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.108 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -97.22 121.42 39.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.589 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.706 HG21 ' HG3' ' A' ' 88' ' ' GLN . 12.0 p -161.47 138.76 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.253 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -89.89 116.18 27.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.713 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.02 -132.0 0.03 OUTLIER Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.582 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.801 ' HB2' HG23 ' A' ' 108' ' ' THR . 51.0 Cg_endo -68.58 -26.25 6.91 Favored 'Cis proline' 0 C--N 1.348 0.522 0 C-N-CA 123.47 -1.471 . . . . 0.0 112.392 0.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.488 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 24.6 m-80 -45.72 93.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.297 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' CD1' ' N ' ' A' ' 60' ' ' THR . 6.0 mt -146.64 145.2 29.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.8 m95 -109.58 141.76 41.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.56 144.41 49.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.488 ' O ' HD11 ' A' ' 48' ' ' ILE . 19.3 t -56.76 137.04 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.821 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.531 HD22 HG11 ' A' ' 112' ' ' VAL . 26.8 tp -87.09 -16.17 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.921 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.5 OUTLIER -53.34 135.67 38.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.829 0.347 . . . . 0.0 110.939 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -64.86 -37.75 88.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -25.41 27.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.298 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.7 t -98.37 130.01 45.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.133 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -132.96 62.32 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.421 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -105.06 148.57 26.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.286 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.795 HG22 ' HD3' ' A' ' 56' ' ' LYS . 7.3 t -108.79 119.8 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.712 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -131.31 162.86 23.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.751 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.9 p -103.42 148.66 25.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.765 0.316 . . . . 0.0 110.621 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.78 -159.55 24.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.837 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -19.01 26.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.538 0.208 . . . . 0.0 111.452 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.3 t -62.09 -18.06 59.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.255 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.706 ' HG3' HG21 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -126.89 -77.49 0.58 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.751 0.31 . . . . 0.0 111.086 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 89' ' ' VAL . 11.1 t -142.59 16.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.608 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.64 37.1 19.05 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.94 0.4 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -54.71 -37.75 66.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.715 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -59.18 -36.67 75.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.581 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 88.0 m -71.26 -53.06 15.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.573 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -56.11 -48.86 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.333 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -59.87 -38.09 81.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.0 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.2 t -58.04 -43.85 87.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.807 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 93' ' ' THR . 0.6 OUTLIER -70.84 -48.66 52.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.88 0.371 . . . . 0.0 111.176 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -48.61 53.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.339 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.4 p -102.62 10.08 38.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.86 21.93 10.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.727 0.299 . . . . 0.0 111.269 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 99' ' ' THR . 49.5 m170 -89.75 96.12 10.55 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.762 ' C ' HD22 ' A' ' 103' ' ' LEU . 35.8 m-85 -89.73 21.79 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.762 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.8 mm? -122.48 116.4 23.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.928 0.394 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 t -133.65 129.32 36.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.694 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' A' ' 112' ' ' VAL . 11.3 p -120.37 123.89 71.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.933 0.397 . . . . 0.0 111.473 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.494 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 6.9 p30 -76.75 124.11 27.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.382 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.51 -15.99 61.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.729 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.801 HG23 ' HB2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -82.33 -34.3 28.59 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.218 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.01 -11.09 14.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.1 mt 62.14 30.98 17.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -114.14 138.58 50.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.57 HG21 HD23 ' A' ' 123' ' ' LEU . 22.0 t -99.22 150.13 5.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.302 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.411 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 70.4 t-105 -129.57 139.31 51.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.8 t -110.68 109.22 19.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.666 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -69.3 -41.47 76.71 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.657 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.473 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.83 -52.63 64.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.8 m -70.37 -30.12 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.03 51.19 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.544 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.411 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -170.81 -177.89 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.024 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -93.51 144.81 25.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.6 m -136.78 161.22 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -123.49 128.51 49.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.57 HD23 HG21 ' A' ' 112' ' ' VAL . 4.2 mm? -89.86 125.44 35.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -130.1 169.62 15.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.3 -36.68 4.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.58 32.28 1.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 23.1 mt -129.98 163.21 26.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -172.55 -81.9 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.82 -31.82 11.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.343 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.856 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.819 0.342 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -73.65 152.38 40.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -136.88 143.01 42.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.496 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.67 132.92 91.52 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.691 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.83 -44.04 8.58 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.757 2.304 . . . . 0.0 113.248 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 20.5 m80 -47.57 -55.41 9.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.391 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.536 ' O ' HG22 ' A' ' 45' ' ' VAL . 3.9 pp -73.23 -33.82 65.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 0.0 110.969 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 28.0 t0 -55.42 -21.86 17.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.322 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -83.77 -43.1 15.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.689 0.281 . . . . 0.0 111.284 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 42' ' ' LEU . 21.4 m -69.09 146.87 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.109 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.97 -123.44 0.83 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.43 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -139.06 162.41 35.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.571 HG21 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -102.26 137.49 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 p -76.83 159.94 29.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.33 -45.48 94.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.715 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.85 ' HA ' HD12 ' A' ' 54' ' ' ILE . 2.2 tt0 -58.74 -32.85 69.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.551 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -72.39 -42.43 65.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.59 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.571 HD21 HG21 ' A' ' 48' ' ' ILE . 20.9 mt -71.71 -31.98 67.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 51' ' ' GLU . 23.8 mt -57.9 -45.6 87.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.812 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.591 ' HA ' HD12 ' A' ' 58' ' ' LEU . 2.1 tp60 -66.44 -41.35 89.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.621 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.883 ' HG2' HG22 ' A' ' 82' ' ' VAL . 13.1 mttm -69.01 -32.23 71.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.065 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.7 p -71.82 -12.82 61.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.423 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 55' ' ' GLN . 16.1 mt -62.29 -19.07 62.89 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.603 0.24 . . . . 0.0 110.999 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.689 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 88.5 45.0 5.09 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.986 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.5 p -144.09 138.72 28.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.972 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.508 ' HB2' HG22 ' A' ' 66' ' ' VAL . 31.5 t -86.8 143.01 27.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.517 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.11 -30.05 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.149 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.58 -53.15 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.189 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.3 p -120.73 -169.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.92 108.58 17.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 66' ' ' VAL . 27.9 m -146.5 115.23 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -72.48 128.71 36.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.83 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.75 -176.53 0.22 Allowed Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.394 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.45 -156.45 1.2 Allowed 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 123.683 -1.382 . . . . 0.0 112.314 0.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 66.11 71.53 0.41 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.774 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.689 HD12 ' HA2' ' A' ' 59' ' ' GLY . 4.8 mt -137.62 143.49 41.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.5 ' CE3' HG23 ' A' ' 104' ' ' THR . 30.8 m95 -112.96 160.74 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.632 ' HB1' ' NZ ' ' A' ' 56' ' ' LYS . . . -143.14 140.84 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.3 t -58.52 133.69 56.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.67 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.615 HD11 ' CD2' ' A' ' 123' ' ' LEU . 19.5 tp -84.49 -17.4 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.897 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.2 OUTLIER -54.41 133.0 45.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 0.0 110.892 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -65.29 -40.77 94.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.003 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -79.14 -16.01 57.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.281 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.401 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.7 t -109.22 123.94 50.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.897 0.379 . . . . 0.0 111.276 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.54 57.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.437 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -104.66 147.81 27.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.404 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.883 HG22 ' HG2' ' A' ' 56' ' ' LYS . 3.0 t -105.03 128.5 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.793 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.84 159.12 26.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.1 p -103.43 135.44 45.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.784 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.16 -159.89 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.815 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.43 -16.41 62.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.66 0.267 . . . . 0.0 111.491 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -62.33 -17.81 59.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.38 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -125.21 -78.13 0.6 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.629 0.252 . . . . 0.0 111.341 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 89' ' ' VAL . 5.9 t -136.96 18.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.746 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.13 30.44 9.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.737 0.303 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -54.22 -38.66 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 m -59.21 -36.17 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.659 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.484 HG23 ' CE2' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -71.18 -51.0 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.648 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.33 -49.59 79.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.308 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -59.07 -39.13 81.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.141 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -58.01 -43.75 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.778 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.424 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.79 -48.74 52.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.876 0.37 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -50.26 -48.7 54.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.116 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.447 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 45.7 p -103.71 10.75 36.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.1 mttm 58.23 22.04 8.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.701 0.286 . . . . 0.0 111.29 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 99' ' ' THR . 54.7 m170 -87.85 96.38 10.45 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.807 ' C ' HD22 ' A' ' 103' ' ' LEU . 24.4 m-85 -91.56 30.0 1.4 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.655 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.807 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.6 mm? -136.09 117.99 15.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.5 HG23 ' CE3' ' A' ' 72' ' ' TRP . 8.0 t -135.79 144.32 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 105' ' ' VAL . 13.5 p -120.17 122.91 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.326 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 3.0 p30 -82.47 121.54 26.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.72 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.31 -9.7 58.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.54 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.1 m -75.74 -43.02 48.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 111.28 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.05 3.46 11.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 110' ' ' LEU . 14.7 mt 55.94 38.27 29.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.793 0.33 . . . . 0.0 111.231 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -114.01 151.68 32.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.532 HG11 HD22 ' A' ' 75' ' ' LEU . 17.9 t -106.57 150.24 9.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 69.3 t-105 -129.59 140.09 51.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.447 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.2 t -114.07 111.27 21.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.352 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.484 ' CE2' HG23 ' A' ' 93' ' ' THR . 23.2 m-85 -69.18 -41.14 77.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.629 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.467 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.18 -52.62 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 111.015 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 m -69.63 -30.26 67.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.506 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 77.39 51.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.676 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.55 171.76 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.909 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 113' ' ' TRP . 2.5 pp20? -85.89 133.08 33.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.461 HG21 HD23 ' A' ' 42' ' ' LEU . 4.2 m -120.72 165.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -123.57 136.04 54.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 123' ' ' LEU . 1.2 pp -112.09 152.49 28.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.41 160.84 28.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -105.0 -30.44 9.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.2 tttm 62.55 148.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.579 HD12 ' H ' ' A' ' 127' ' ' LEU . 4.6 mp -61.84 145.72 51.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 109.47 56.57 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.79 -31.39 9.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -129.5 126.11 37.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -127.55 -179.82 5.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.468 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -96.65 135.28 22.36 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.21 -45.59 3.7 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.794 2.33 . . . . 0.0 113.193 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.533 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.5 m80 -46.49 -55.15 7.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.457 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.715 ' HB3' HD11 ' A' ' 103' ' ' LEU . 4.0 pp -75.23 -32.88 61.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.888 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -57.83 -22.04 45.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.078 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.33 -43.17 11.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.6 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' A' ' 42' ' ' LEU . 34.4 m -72.72 136.0 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.887 0.375 . . . . 0.0 111.067 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.94 -149.56 8.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -119.77 165.22 14.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.916 0.389 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.617 HD13 ' HZ1' ' A' ' 56' ' ' LYS . 28.3 mt -107.28 150.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 p -78.28 160.01 28.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -61.24 -32.93 72.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -61.2 -43.56 98.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -38.87 67.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.025 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.519 HD23 ' HD2' ' A' ' 56' ' ' LYS . 18.4 mt -71.73 -31.95 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.431 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -55.43 -43.8 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.78 0.324 . . . . 0.0 111.04 -179.737 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -68.6 -39.14 81.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.558 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.865 ' HG2' HG22 ' A' ' 82' ' ' VAL . 48.4 mttt -67.98 -32.38 72.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.184 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.9 p -71.82 -12.9 61.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.401 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.53 -19.1 63.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.642 0.258 . . . . 0.0 111.069 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.683 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 84.78 49.05 4.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 113.043 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.416 ' O ' HG11 ' A' ' 82' ' ' VAL . 74.0 p -144.26 138.45 27.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 111.004 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.3 t -86.91 137.65 32.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -77.16 -31.5 55.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.64 -53.07 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.224 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.484 ' SG ' HG13 ' A' ' 66' ' ' VAL . 29.4 p -126.24 -169.17 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.955 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -118.95 76.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.788 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.484 HG13 ' SG ' ' A' ' 64' ' ' CYS . 6.9 m -105.44 -28.62 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 61.72 149.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.1 -164.45 17.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.425 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.82 -166.38 3.27 Favored 'Cis proline' 0 C--N 1.346 0.433 0 C-N-CA 123.423 -1.49 . . . . 0.0 112.248 0.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.0 m120 64.97 61.44 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.683 HD12 ' HA2' ' A' ' 59' ' ' GLY . 7.0 mt -112.46 141.23 46.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.813 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.424 ' CE3' HG23 ' A' ' 104' ' ' THR . 61.7 m95 -114.96 120.64 40.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 107' ' ' LEU . . . -107.48 144.06 34.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.608 ' O ' HD11 ' A' ' 48' ' ' ILE . 13.3 t -58.93 144.13 45.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.763 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 123' ' ' LEU . 11.1 tp -95.82 -15.53 22.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.933 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.4 133.83 40.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.906 0.384 . . . . 0.0 110.968 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -60.38 -40.55 91.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.036 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -85.06 -15.55 43.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.457 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.68 119.92 40.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 111.435 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -124.26 43.35 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.44 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -79.69 148.59 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.372 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.865 HG22 ' HG2' ' A' ' 56' ' ' LYS . 4.5 t -105.99 122.93 60.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.739 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.01 166.55 24.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.77 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.7 p -107.62 140.71 40.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 110.68 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.34 -176.24 10.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.99 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.41 ' CG ' ' HB3' ' A' ' 90' ' ' ASP . 1.2 tt0 -58.15 -21.87 48.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.653 0.264 . . . . 0.0 111.263 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.31 -18.24 60.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.181 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -120.43 -66.27 1.07 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.221 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.0 t -148.6 20.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.661 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.41 ' HB3' ' CG ' ' A' ' 86' ' ' GLU . 5.5 p-10 43.85 30.4 0.39 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.77 0.319 . . . . 0.0 111.52 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -36.91 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.392 . . . . 0.0 110.684 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.3 t -61.5 -35.56 78.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.454 HG22 ' OE1' ' A' ' 97' ' ' GLN . 4.0 m -71.09 -52.37 19.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.63 -49.36 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.246 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -58.64 -39.19 79.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.07 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.2 t -58.48 -42.76 88.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.62 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.454 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.59 -48.96 52.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.927 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.1 -48.59 53.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.053 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.471 ' HG1' ' CE1' ' A' ' 101' ' ' HIS . 54.1 p -104.78 10.78 34.45 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp 58.05 22.01 8.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.582 0.23 . . . . 0.0 111.383 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.471 ' CE1' ' HG1' ' A' ' 99' ' ' THR . 52.3 m170 -87.06 96.2 10.21 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.56 ' O ' HD22 ' A' ' 103' ' ' LEU . 30.2 m-85 -89.22 19.02 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.916 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.715 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.5 mm? -125.26 119.51 28.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.043 0.449 . . . . 0.0 111.236 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.424 HG23 ' CE3' ' A' ' 72' ' ' TRP . 5.6 t -134.12 141.86 47.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.753 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.5 p -120.36 113.19 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.265 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -69.43 120.44 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.499 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -72.24 -8.55 55.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.555 -179.665 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -76.59 -42.99 40.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.273 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.08 2.51 11.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.617 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.3 mt 58.85 32.93 22.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.795 0.331 . . . . 0.0 111.072 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -105.92 149.33 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.6 t -105.92 150.03 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.212 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 57.1 t-105 -131.92 143.59 50.24 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.8 t -114.53 112.81 23.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.679 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -69.43 -42.14 75.39 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.45 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.533 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.8 -52.72 63.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.813 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.3 m -68.97 -30.16 68.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.205 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 74.52 55.06 0.08 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.589 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.431 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -173.64 -178.88 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.61 142.0 28.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.48 161.93 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.184 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -121.37 131.57 54.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 75' ' ' LEU . 5.0 mt -67.65 150.44 48.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.63 120.75 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -97.48 -31.25 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -68.33 107.58 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.52 -178.38 7.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.01 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.2 -41.2 0.54 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.562 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.74 -30.8 21.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.777 0.322 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.866 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.761 0.315 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -105.85 -66.13 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CE1' HD11 ' A' ' 42' ' ' LEU . 2.5 t-160 -94.22 -179.79 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.524 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -84.5 133.62 44.09 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.699 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 41.8 Cg_endo -67.32 -45.59 3.59 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.828 2.352 . . . . 0.0 113.11 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.547 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 15.6 m80 -46.63 -55.3 7.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.493 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.588 ' HA ' HG22 ' A' ' 45' ' ' VAL . 4.2 pp -74.79 -32.86 62.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.905 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.455 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 1.3 m-20 -57.42 -22.06 40.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.203 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -87.01 -43.21 12.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.399 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.754 HG21 HD23 ' A' ' 75' ' ' LEU . 35.0 m -75.38 135.91 26.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.869 0.366 . . . . 0.0 111.271 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.93 -123.7 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.589 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -140.62 164.09 31.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 111.069 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.94 HG21 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -99.45 139.02 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.867 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 p -76.84 159.87 29.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -62.65 -42.79 99.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.621 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.848 ' HA ' HD12 ' A' ' 54' ' ' ILE . 78.9 mt-10 -58.84 -32.82 69.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -72.35 -50.25 28.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 179.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.94 HD21 HG21 ' A' ' 48' ' ' ILE . 99.2 mt -63.82 -31.98 73.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 51' ' ' GLU . 22.1 mt -53.9 -44.18 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.07 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -40.06 80.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.618 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CD ' ' HB1' ' A' ' 73' ' ' ALA . 15.5 mttt -68.98 -32.2 71.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.923 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -70.82 -12.69 61.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.448 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.4 mt -62.17 -19.05 62.68 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.974 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.01 41.69 5.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.199 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.6 p -144.14 138.36 28.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.34 . . . . 0.0 110.945 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.445 ' CB ' HG12 ' A' ' 66' ' ' VAL . 49.3 t -87.14 140.52 29.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -77.09 -32.18 56.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -74.94 -53.05 9.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.0 p -122.52 175.68 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.55 82.78 3.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.458 HG21 ' CD ' ' A' ' 88' ' ' GLN . 7.8 p -126.36 144.65 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.97 145.59 25.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.38 -145.31 1.0 Allowed Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.406 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.26 -42.3 0.82 Allowed 'Cis proline' 0 C--N 1.347 0.475 0 C-N-CA 123.365 -1.515 . . . . 0.0 112.367 0.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.532 ' N ' HG21 ' A' ' 108' ' ' THR . 15.9 m-20 -43.03 109.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.441 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mt -156.97 143.26 18.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.064 0.459 . . . . 0.0 111.224 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 37.6 m95 -105.52 159.32 16.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.427 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -142.88 144.66 32.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.0 t -61.43 132.7 54.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.531 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.754 HD23 HG21 ' A' ' 45' ' ' VAL . 6.2 tp -85.04 -17.35 37.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.71 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.617 ' HG2' HG12 ' A' ' 45' ' ' VAL . 2.1 tm-20 -53.41 125.41 17.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -60.71 -37.42 81.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -20.02 46.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.195 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.402 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.8 t -104.05 150.0 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.069 0.461 . . . . 0.0 111.286 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.6 m -145.49 59.7 1.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.209 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.24 142.21 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.401 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.0 t -104.8 119.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.61 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.0 162.09 25.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.091 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.9 p -103.42 148.43 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.685 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.1 -169.21 31.13 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.053 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.45 -21.79 39.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 111.299 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.4 m -62.23 -17.2 57.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.31 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' CD ' HG21 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -124.99 -70.72 0.74 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.228 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 89' ' ' VAL . 13.4 t -146.83 16.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 t0 47.4 33.49 2.78 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.943 0.401 . . . . 0.0 111.25 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -55.45 -35.56 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.614 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -60.74 -36.57 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.543 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.454 HG22 ' OE1' ' A' ' 97' ' ' GLN . 88.0 m -71.43 -48.9 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.422 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.524 HG22 ' OE1' ' A' ' 98' ' ' GLU . 3.7 mt -58.15 -51.51 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.957 0.408 . . . . 0.0 110.367 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.11 -35.9 76.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.014 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -59.67 -42.26 92.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.825 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.454 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.75 -48.83 52.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.829 0.347 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.524 ' OE1' HG22 ' A' ' 94' ' ' ILE . 1.7 mt-10 -50.32 -48.67 55.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.076 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 52.1 p -103.59 10.45 36.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm 58.05 22.14 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 111.289 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 99' ' ' THR . 54.7 m170 -87.32 96.5 10.37 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.808 ' C ' HD22 ' A' ' 103' ' ' LEU . 30.2 m-85 -91.53 29.89 1.41 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.562 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.808 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.2 mm? -132.55 117.35 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 0.0 110.863 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.7 t -135.29 137.54 42.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 111' ' ' ARG . 11.9 p -120.41 125.35 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 9.7 p30 -81.19 123.54 28.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.52 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.716 HD23 HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.29 -16.88 61.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.44 -179.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.532 HG21 ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -82.13 -27.09 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.753 -179.2 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.93 -10.26 11.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.603 0.24 . . . . 0.0 111.583 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 110' ' ' LEU . 15.8 mt 60.77 29.61 19.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.792 0.329 . . . . 0.0 111.051 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.612 ' O ' HG23 ' A' ' 105' ' ' VAL . 22.3 mtt180 -114.07 158.33 21.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.484 HG21 HD23 ' A' ' 123' ' ' LEU . 6.0 t -110.82 150.18 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 69.0 t-105 -131.1 140.37 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.967 0.413 . . . . 0.0 111.39 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.0 t -113.09 112.33 23.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -69.24 -42.06 76.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.602 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.547 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.96 -52.61 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 111.106 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 9.8 m -69.93 -30.05 67.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.419 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.26 52.0 0.05 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.768 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.3 OUTLIER -176.51 170.16 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.85 136.33 34.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.785 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 42' ' ' LEU . 4.1 m -126.1 168.89 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -123.62 133.86 53.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.579 HD21 HD21 ' A' ' 75' ' ' LEU . 3.3 mm? -83.39 145.44 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -162.95 120.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -38.15 7.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -149.48 135.86 19.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.2 mt -90.9 143.58 26.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -162.02 -53.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.424 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.6 m -141.23 -66.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.912 0.387 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.781 0.324 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -114.67 151.9 32.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.414 ' NE2' ' CZ ' ' A' ' 122' ' ' PHE . 2.3 t-160 -72.25 170.87 13.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.496 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -77.86 133.43 65.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.485 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.13 -44.24 2.64 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.776 2.317 . . . . 0.0 113.088 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.769 ' HB3' HD21 ' A' ' 103' ' ' LEU . 18.5 m80 -46.44 -55.17 7.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.457 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 43' ' ' ASP . 4.1 pp -75.82 -36.45 59.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.527 ' N ' HD12 ' A' ' 42' ' ' LEU . 24.7 t0 -59.66 -22.09 61.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.3 p -85.21 -43.04 14.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 111.311 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 42' ' ' LEU . 34.2 m -76.14 156.92 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.215 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.03 155.38 16.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.33 157.04 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.594 HD11 ' O ' ' A' ' 74' ' ' CYS . 31.7 mt -100.1 148.78 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.1 p -76.93 160.54 29.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -61.92 -30.2 70.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' O ' HG22 ' A' ' 54' ' ' ILE . 3.9 tp10 -62.3 -46.86 86.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.67 -35.77 67.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.709 HD23 ' HD2' ' A' ' 56' ' ' LYS . 20.4 mt -71.42 -31.81 67.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.6 tp -53.36 -42.39 47.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.414 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 1.2 mp0 -68.55 -40.79 80.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.518 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.709 ' HD2' HD23 ' A' ' 53' ' ' LEU . 30.9 mttm -69.15 -32.24 71.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.074 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 p -72.58 -12.76 61.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.585 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.22 -19.11 62.82 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.695 0.283 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.551 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.43 50.99 3.42 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.984 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.9 p -144.25 138.56 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.0 t -86.95 142.7 27.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.773 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.512 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.05 -28.06 54.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.23 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -89.38 -52.16 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.106 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.697 ' SG ' HG13 ' A' ' 66' ' ' VAL . 23.9 p -118.56 -164.26 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.52 70.01 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.882 0.372 . . . . 0.0 110.746 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.697 HG13 ' SG ' ' A' ' 64' ' ' CYS . 27.8 m -88.27 -20.71 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.478 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 64.16 134.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.75 -171.22 10.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.559 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -71.93 -163.97 2.87 Favored 'Cis proline' 0 C--N 1.346 0.439 0 C-N-CA 123.532 -1.445 . . . . 0.0 112.334 0.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.94 71.82 0.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.702 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.551 HD12 ' HA2' ' A' ' 59' ' ' GLY . 9.8 mt -136.37 141.76 43.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.993 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 24.5 m95 -107.47 159.08 16.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.554 ' HB1' ' HD3' ' A' ' 56' ' ' LYS . . . -140.34 143.3 35.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.594 ' O ' HD11 ' A' ' 48' ' ' ILE . 21.2 t -58.69 133.05 55.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.709 HD21 HD21 ' A' ' 123' ' ' LEU . 24.7 tp -83.49 -20.2 34.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.503 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.3 OUTLIER -53.34 119.9 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 110.993 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.05 -35.25 71.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -78.59 -28.07 45.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 2.7 t -94.3 149.31 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 p -142.3 50.34 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.565 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -99.32 146.29 26.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.211 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.642 HG22 ' HG2' ' A' ' 56' ' ' LYS . 11.1 t -112.47 128.83 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.712 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.33 164.4 26.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.786 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.0 p -103.45 140.45 37.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.655 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.96 -171.16 2.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.845 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -17.04 62.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.65 0.262 . . . . 0.0 111.315 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -18.74 62.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.063 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.36 -70.85 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.069 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 89' ' ' VAL . 14.7 t -143.76 16.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.644 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.46 32.5 3.36 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.917 0.389 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -37.18 65.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.655 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -36.37 78.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.586 HG22 ' OE1' ' A' ' 97' ' ' GLN . 85.8 m -70.15 -49.53 49.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.34 -49.59 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.304 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -58.57 -39.23 79.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.997 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.7 t -58.39 -41.7 85.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.691 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.586 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.51 -48.76 54.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.905 0.383 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.32 -48.61 55.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.907 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.474 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 58.8 p -108.43 17.67 21.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.538 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 99' ' ' THR . 6.9 ptpt 50.93 23.32 1.42 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 99' ' ' THR . 63.9 m170 -83.65 95.95 8.53 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.64 ' C ' HD22 ' A' ' 103' ' ' LEU . 17.8 m-85 -88.44 14.07 10.49 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 41' ' ' HIS . 2.5 mm? -116.54 117.17 29.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.809 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.418 HG23 ' HB3' ' A' ' 113' ' ' TRP . 5.0 t -136.64 138.96 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.2 p -120.89 125.37 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.352 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 2.7 p30 -81.19 121.81 26.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.651 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.32 -11.48 60.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.659 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -40.2 22.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.743 0.306 . . . . 0.0 111.724 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.31 -6.79 14.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.715 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 110' ' ' LEU . 14.7 mt 60.5 35.16 20.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -114.08 149.73 35.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 1.089 HG21 HD23 ' A' ' 123' ' ' LEU . 26.9 t -102.49 150.17 6.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.223 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 75.8 t-105 -131.22 141.16 49.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.5 t -118.07 108.91 15.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.694 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 54.5 m-85 -69.23 -39.76 78.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.457 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.475 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.86 -52.71 63.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.98 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.7 m -69.11 -30.07 68.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.452 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 m 77.83 50.43 0.04 OUTLIER 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.57 174.81 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.954 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.78 142.83 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.41 ' HB ' HD22 ' A' ' 42' ' ' LEU . 9.1 m -127.79 178.11 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.414 ' CZ ' ' NE2' ' A' ' 38' ' ' HIS . 18.4 p90 -122.57 159.48 27.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.089 HD23 HG21 ' A' ' 112' ' ' VAL . 0.4 OUTLIER -103.88 158.77 16.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.7 153.61 31.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.29 -31.33 7.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.28 120.53 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 13.3 mt -77.69 92.4 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -74.4 -65.24 2.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.9 m -148.95 -46.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.831 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.891 0.377 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -85.96 74.02 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 59.53 -171.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.509 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -96.78 132.9 25.2 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.536 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.38 -43.05 3.23 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.688 2.259 . . . . 0.0 113.169 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.558 ' HB3' HD21 ' A' ' 103' ' ' LEU . 19.2 m80 -47.51 -55.14 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.282 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 39' ' ' CYS . 4.0 pp -75.35 -36.03 61.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.881 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.493 ' N ' HD12 ' A' ' 42' ' ' LEU . 27.8 t70 -56.33 -21.99 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -85.97 -43.1 13.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.293 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.471 HG21 HD23 ' A' ' 75' ' ' LEU . 13.4 m -69.91 155.34 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 111.267 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.18 -130.82 3.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.451 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.638 ' HG3' HD13 ' A' ' 123' ' ' LEU . 1.7 tt0 -140.58 153.18 46.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.335 . . . . 0.0 110.954 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.477 HG21 ' CD2' ' A' ' 53' ' ' LEU . 28.8 mm -91.59 142.64 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.4 p -78.96 160.07 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.758 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' HG12 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -59.61 -47.45 85.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.795 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.86 -31.26 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.23 -51.0 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.477 ' CD2' HG21 ' A' ' 48' ' ' ILE . 40.9 mt -62.75 -32.46 73.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 50' ' ' LYS . 14.8 mm -55.81 -44.0 76.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -47.65 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.373 . . . . 0.0 110.731 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.915 ' HG2' HG22 ' A' ' 82' ' ' VAL . 3.5 mttt -64.59 -32.18 73.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 p -72.4 -12.44 61.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.529 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.06 -19.0 62.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.641 0.258 . . . . 0.0 111.021 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.733 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 88.95 45.89 4.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.378 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.411 ' N ' HD11 ' A' ' 71' ' ' LEU . 69.2 p -144.23 138.16 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.97 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.4 t -87.12 138.84 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.783 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.11 -27.71 54.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -53.04 5.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.218 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.736 ' SG ' HG13 ' A' ' 66' ' ' VAL . 28.6 p -121.12 -165.73 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 66.25 1.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.808 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.736 HG13 ' SG ' ' A' ' 64' ' ' CYS . 30.7 m -94.0 -27.04 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.255 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 62.54 151.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.65 -161.39 15.36 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.05 -167.07 3.64 Favored 'Cis proline' 0 C--N 1.346 0.396 0 C-N-CA 123.237 -1.568 . . . . 0.0 112.342 0.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.6 m120 66.01 68.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.736 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.733 HD12 ' HA2' ' A' ' 59' ' ' GLY . 4.9 mt -116.73 141.78 47.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.988 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -117.16 133.73 55.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.029 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.428 ' HB1' ' NZ ' ' A' ' 56' ' ' LYS . . . -118.86 145.69 45.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.001 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.6 t -57.22 140.16 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.714 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.524 HD22 ' CG1' ' A' ' 112' ' ' VAL . 15.1 tp -90.59 -15.51 30.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.836 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 7.2 tp10 -53.47 142.8 21.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.712 0.291 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -70.51 -38.35 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -26.51 27.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.445 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.5 t -96.19 135.6 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.952 0.406 . . . . 0.0 111.172 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.15 48.63 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.232 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -84.36 148.32 26.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.411 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.915 HG22 ' HG2' ' A' ' 56' ' ' LYS . 18.9 t -111.52 116.49 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.655 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -132.82 167.59 23.19 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.914 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 p -107.02 144.49 33.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.52 -173.62 13.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.933 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -20.69 47.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.59 0.233 . . . . 0.0 111.259 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.24 -19.03 62.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.047 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.81 -67.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.955 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 89' ' ' VAL . 14.0 t -148.98 17.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.778 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t0 46.76 30.93 1.28 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.897 0.379 . . . . 0.0 111.167 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.23 -38.33 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.708 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -36.93 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.525 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.423 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 26.8 m -70.22 -52.7 21.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.52 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.5 -47.76 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.385 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.96 -38.87 83.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.087 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 93' ' ' THR . 10.2 t -57.98 -43.67 86.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.758 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 93' ' ' THR . 0.7 OUTLIER -70.84 -48.71 52.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.931 0.396 . . . . 0.0 111.076 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -48.6 55.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.193 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.441 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 40.2 p -103.32 10.41 37.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.2 mttm 59.17 21.87 10.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.65 0.262 . . . . 0.0 111.263 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 99' ' ' THR . 52.8 m170 -89.37 96.15 10.59 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.75 ' C ' HD22 ' A' ' 103' ' ' LEU . 29.3 m-85 -89.71 22.78 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.679 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.75 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.0 mm? -124.03 117.17 24.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.919 0.39 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.6 t -138.02 135.88 36.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.675 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 105' ' ' VAL . 14.0 p -120.16 121.57 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.354 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -76.28 120.82 22.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.432 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.48 HD11 ' HB3' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.27 -8.28 53.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.791 -179.663 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 m -81.1 -34.54 32.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.715 0.293 . . . . 0.0 111.261 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.61 -8.1 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.567 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 mt 63.66 33.36 13.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 0.0 110.976 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.1 138.79 49.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.524 ' CG1' HD22 ' A' ' 75' ' ' LEU . 21.2 t -93.91 150.23 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.412 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 65.1 t-105 -131.6 142.42 49.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.337 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.3 t -114.74 111.94 22.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.63 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -69.3 -42.05 75.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.53 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.492 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.66 -52.49 64.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.965 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.3 -30.1 69.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.462 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.7 p 77.15 47.71 0.06 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.412 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -171.89 173.06 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.958 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -83.36 148.34 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.974 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 m -136.14 169.35 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -123.58 136.67 54.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.638 HD13 ' HG3' ' A' ' 47' ' ' GLU . 4.1 mt -60.71 146.9 44.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -101.25 148.53 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.22 -32.97 65.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -75.48 154.84 36.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.98 169.81 17.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -116.22 -33.22 1.52 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.87 -73.76 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.969 0.414 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.853 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.839 0.352 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -145.44 166.8 24.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.562 ' CE1' HD11 ' A' ' 42' ' ' LEU . 2.7 t-160 -160.49 177.74 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -87.57 132.94 39.23 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.468 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HA ' ' HB3' ' A' ' 43' ' ' ASP . 48.8 Cg_endo -68.42 -44.01 3.74 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.686 2.257 . . . . 0.0 113.185 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.642 ' HB3' HD21 ' A' ' 103' ' ' LEU . 17.4 m80 -47.26 -55.16 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.686 0.279 . . . . 0.0 111.331 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 38' ' ' HIS . 4.1 pp -75.98 -32.51 59.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.95 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.44 ' N ' HD12 ' A' ' 42' ' ' LEU . 35.4 t70 -62.3 -22.16 65.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.235 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.0 p -85.18 -43.3 13.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.197 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.782 HG21 HD23 ' A' ' 75' ' ' LEU . 27.1 m -70.71 126.11 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 111.169 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.63 -171.88 0.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.44 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.12 145.09 26.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.431 HD13 ' CD2' ' A' ' 53' ' ' LEU . 8.3 tt -87.92 146.7 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -88.67 160.1 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -59.58 -44.54 93.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.856 ' HA ' HD12 ' A' ' 54' ' ' ILE . 6.0 mm-40 -58.77 -33.09 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.775 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -72.31 -43.5 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.752 179.809 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 48' ' ' ILE . 28.3 mt -70.9 -32.04 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.041 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 51' ' ' GLU . 22.7 mt -55.15 -41.77 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.11 -47.88 75.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 110.525 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.85 ' HG2' HG22 ' A' ' 82' ' ' VAL . 4.1 mttp -65.86 -32.18 73.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.857 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 p -71.48 -12.44 61.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.533 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.96 -19.07 62.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.94 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.629 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 89.85 44.35 4.84 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.3 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.5 p -144.15 138.19 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.014 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.7 t -87.25 144.36 26.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.794 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.556 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.13 -34.09 56.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.233 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -81.31 -53.17 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.199 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.409 ' SG ' HG23 ' A' ' 66' ' ' VAL . 29.5 p -121.2 -165.24 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.73 103.44 12.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.409 HG23 ' SG ' ' A' ' 64' ' ' CYS . 19.1 t -129.19 111.23 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -77.56 125.44 29.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.02 168.42 3.96 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.562 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.85 -159.51 1.96 Allowed 'Cis proline' 0 C--N 1.346 0.436 0 C-N-CA 123.645 -1.398 . . . . 0.0 112.241 0.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.428 ' H ' HG23 ' A' ' 108' ' ' THR . 14.5 m-80 69.12 78.33 0.21 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.629 HD12 ' HA2' ' A' ' 59' ' ' GLY . 8.9 mt -152.64 144.55 23.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.538 ' CE3' HG23 ' A' ' 104' ' ' THR . 19.6 m95 -114.19 160.03 19.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.832 ' HB1' ' CE ' ' A' ' 56' ' ' LYS . . . -142.99 141.05 31.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.35 132.69 51.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.781 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.782 HD23 HG21 ' A' ' 45' ' ' VAL . 5.2 tp -84.63 -15.12 46.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.625 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.635 ' CD ' HG12 ' A' ' 45' ' ' VAL . 9.3 tp10 -56.42 134.07 53.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -65.94 -40.09 91.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.35 -24.52 50.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 76' ' ' GLU . 1.5 t -100.06 134.25 43.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 111.166 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 t -127.89 39.85 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.375 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -87.82 148.55 24.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.286 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.85 HG22 ' HG2' ' A' ' 56' ' ' LYS . 5.7 t -113.85 129.53 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.677 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -142.99 161.33 27.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.882 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.7 p -103.52 142.63 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.706 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.66 -164.94 6.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.065 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.86 -18.83 47.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.595 0.236 . . . . 0.0 111.468 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -62.13 -18.18 60.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.727 0.298 . . . . 0.0 111.145 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -122.89 -73.12 0.66 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 89' ' ' VAL . 13.9 t -144.35 17.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.642 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.1 t0 52.63 32.06 11.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.41 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -54.68 -37.12 65.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.671 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.404 ' HG ' ' HG1' ' A' ' 104' ' ' THR . 0.2 OUTLIER -59.61 -36.79 77.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.565 179.625 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.484 HG22 ' OE1' ' A' ' 97' ' ' GLN . 92.1 m -71.27 -49.84 38.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.499 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.16 -50.61 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.258 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -59.33 -37.78 78.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.071 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.2 t -58.73 -42.9 89.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.727 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.484 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.64 -48.89 52.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.841 0.353 . . . . 0.0 110.933 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.05 -48.68 52.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.06 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.442 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 49.0 p -105.24 11.91 32.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mttp 56.99 22.17 6.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.685 0.278 . . . . 0.0 111.285 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.1 m170 -87.51 96.39 10.38 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.803 ' C ' HD22 ' A' ' 103' ' ' LEU . 21.9 m-85 -90.84 29.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.67 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.803 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.4 mm? -132.26 117.19 17.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.853 0.358 . . . . 0.0 111.016 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.538 HG23 ' CE3' ' A' ' 72' ' ' TRP . 15.3 t -134.16 139.15 45.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.739 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.6 p -120.17 120.62 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 0.0 111.285 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.4 ' HB3' ' CE2' ' A' ' 72' ' ' TRP . 7.7 p30 -80.87 119.69 23.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.585 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -72.09 -11.91 60.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.55 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -68.42 -45.34 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.163 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.06 -0.08 11.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.548 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.7 mt 62.27 40.97 10.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.809 0.338 . . . . 0.0 111.092 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.14 148.28 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.54 HG21 HD23 ' A' ' 123' ' ' LEU . 19.8 t -105.09 150.13 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.034 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 73.7 t-105 -131.39 140.09 49.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 111.298 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.5 t -115.03 110.86 20.23 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.556 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 41.6 m-85 -69.24 -42.06 76.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.554 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.506 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.77 -52.54 65.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.907 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.7 m -69.25 -30.19 68.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.327 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 m 76.19 51.93 0.06 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.718 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.431 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.61 178.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -85.38 149.48 25.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.7 m -138.89 164.75 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -123.64 148.5 46.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.623 HD21 HD21 ' A' ' 75' ' ' LEU . 1.9 mm? -98.75 150.35 21.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -108.32 113.26 26.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -109.38 -33.43 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.8 117.08 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.9 mt -127.56 22.86 6.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 54.21 46.11 72.0 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.708 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.79 -79.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.826 0.346 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.94 -53.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -89.55 177.18 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.527 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -98.91 132.86 22.9 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.548 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.03 -45.4 3.02 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.714 2.276 . . . . 0.0 113.132 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 13.8 m80 -45.8 -54.98 7.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.482 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.68 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.2 pp -73.45 -39.11 65.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.819 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.601 ' N ' HD12 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -56.82 -21.73 31.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.394 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 t -80.87 -43.09 20.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.745 0.307 . . . . 0.0 111.157 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 42' ' ' LEU . 35.4 m -66.39 157.13 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.153 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.23 -129.02 2.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -140.57 157.98 44.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.332 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.521 HG21 HD21 ' A' ' 53' ' ' LEU . 1.8 tt -110.25 144.6 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 p -94.2 159.91 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.999 0.428 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -29.56 70.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -58.93 -46.79 87.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.811 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -72.55 -44.65 61.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.521 HD21 HG21 ' A' ' 48' ' ' ILE . 14.3 mt -59.5 -31.79 69.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.389 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -57.66 -44.29 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.35 . . . . 0.0 111.039 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 2.8 tm0? -69.02 -40.9 78.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HE3' HD11 ' A' ' 48' ' ' ILE . 29.5 mttm -69.05 -32.45 71.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.947 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -70.76 -12.49 61.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.382 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.89 -19.07 62.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.708 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.696 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 88.7 51.32 3.09 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.42 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.7 p -144.18 138.34 28.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.922 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.4 t -87.24 138.17 31.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.816 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -30.06 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.136 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -78.47 -53.07 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.183 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.0 p -125.25 -174.4 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.032 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 112.64 24.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.737 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.472 HG22 ' OE1' ' A' ' 88' ' ' GLN . 37.8 t -153.74 123.49 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' A' ' 59' ' ' GLY . 6.8 mt-30 -95.55 102.82 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.96 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.58 -177.6 0.01 OUTLIER Glycine 0 CA--C 1.52 0.403 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.853 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -93.02 -70.66 0.0 OUTLIER 'Cis proline' 0 N--CA 1.455 -0.788 0 C-N-CA 123.911 -1.287 . . . . 0.0 112.375 -0.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -68.14 106.94 2.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.696 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.0 mt -114.03 141.31 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -109.24 145.43 35.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.92 136.59 47.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.82 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.75 131.99 48.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.955 0.407 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 123' ' ' LEU . 11.5 tp -84.71 -14.15 49.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.797 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.83 134.91 48.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.791 0.329 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -65.93 -38.49 88.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.075 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -19.36 37.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.314 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.5 t -106.02 125.13 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 111.168 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -123.12 43.37 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -90.18 148.11 23.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.269 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.6 t -114.27 127.66 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.85 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -135.15 165.56 24.63 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.809 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.6 p -103.34 144.68 31.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.708 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.5 -163.32 5.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.88 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -13.42 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.544 0.211 . . . . 0.0 111.529 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -17.57 58.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.187 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.472 ' OE1' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -128.4 -76.82 0.56 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.597 0.237 . . . . 0.0 111.214 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 89' ' ' VAL . 13.0 t -135.81 14.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.864 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 t0 50.87 37.19 16.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.891 0.377 . . . . 0.0 110.833 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -54.34 -36.58 63.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.707 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -37.5 81.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.563 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.48 HG22 ' OE1' ' A' ' 97' ' ' GLN . 87.1 m -70.83 -52.57 19.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.744 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.17 -49.82 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.012 0.434 . . . . 0.0 110.392 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -58.2 -39.49 79.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.174 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 t -58.24 -44.48 88.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.832 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.48 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.2 OUTLIER -70.75 -48.9 51.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.897 0.38 . . . . 0.0 111.071 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.42 -48.62 56.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.214 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 41.5 p -103.62 11.65 35.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 57.83 21.99 8.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.795 0.331 . . . . 0.0 111.274 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 99' ' ' THR . 58.2 m170 -88.38 96.35 10.56 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.756 ' C ' HD22 ' A' ' 103' ' ' LEU . 26.4 m-85 -90.79 22.77 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.674 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.756 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.8 mm? -123.01 117.01 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.911 0.386 . . . . 0.0 110.788 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.4 t -139.04 132.43 30.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.487 ' HB ' HD13 ' A' ' 75' ' ' LEU . 12.3 p -120.19 122.49 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 111.391 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -78.45 126.35 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.212 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.6 -34.66 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.714 -179.382 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.03 -30.74 70.03 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.98 -15.79 14.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.658 0.266 . . . . 0.0 111.518 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 110' ' ' LEU . 13.3 mt 62.39 28.22 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.298 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 105' ' ' VAL . 3.0 mtt85 -114.34 150.71 34.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.029 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 t -104.28 146.09 12.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.443 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 71.7 t-105 -127.38 142.54 51.4 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 111.57 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 25.5 t -118.17 111.34 18.71 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.442 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -69.29 -42.06 75.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.709 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.473 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -58.39 -52.63 64.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.986 0.422 . . . . 0.0 110.715 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.5 m -69.81 -30.05 67.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.057 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.2 m 74.67 51.78 0.09 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.719 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.443 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 1.9 ptmt -176.53 178.26 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.406 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.47 147.51 30.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.649 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.3 m -147.0 166.6 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.931 0.396 . . . . 0.0 111.293 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -123.68 144.53 49.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.843 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.571 ' CD2' HD21 ' A' ' 75' ' ' LEU . 4.6 pp -114.03 154.96 26.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.982 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.434 ' O ' HD12 ' A' ' 123' ' ' LEU . 0.9 OUTLIER -68.73 161.12 29.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -29.53 9.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.048 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -142.68 145.95 33.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.84 77.35 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.694 ' O ' HG23 ' A' ' 129' ' ' THR . . . -117.92 30.67 6.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.406 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 128' ' ' GLY . 0.7 OUTLIER -170.75 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.948 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.935 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.814 0.34 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -111.06 85.14 2.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -141.72 162.79 34.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.509 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -82.88 133.55 48.49 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.584 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 56.5 Cg_endo -70.12 -42.47 3.0 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.74 2.294 . . . . 0.0 113.141 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.537 ' HB3' HD21 ' A' ' 103' ' ' LEU . 21.3 m80 -48.34 -55.34 10.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.341 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.626 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.1 pp -75.66 -36.12 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.008 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.491 ' N ' HD12 ' A' ' 42' ' ' LEU . 11.5 m-20 -55.05 -21.93 14.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.524 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.34 -43.02 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 111.388 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 42' ' ' LEU . 20.7 m -67.24 -176.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.398 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.54 -136.04 4.54 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.402 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -140.58 154.75 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.331 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.533 ' HB ' HD21 ' A' ' 53' ' ' LEU . 29.8 mt -105.25 150.55 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.7 p -76.76 160.1 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.66 -32.46 72.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.775 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' O ' HG22 ' A' ' 54' ' ' ILE . 9.7 tp10 -61.7 -42.8 99.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -43.94 62.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.109 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.533 HD21 ' HB ' ' A' ' 48' ' ' ILE . 34.3 mt -65.89 -32.0 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.407 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -55.67 -41.76 66.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.838 0.351 . . . . 0.0 111.103 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.406 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 39.6 mt-30 -66.95 -42.67 84.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.569 ' CD ' HG22 ' A' ' 82' ' ' VAL . 14.7 mttt -69.05 -32.31 71.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.235 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.9 p -74.51 -12.68 60.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.523 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.26 -19.13 62.9 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.716 0.294 . . . . 0.0 111.091 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.536 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 92.77 45.74 3.58 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.966 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.0 p -144.04 138.58 28.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 111.013 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.435 ' HB2' HG22 ' A' ' 66' ' ' VAL . 9.4 t -86.87 139.98 30.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.03 -30.0 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.95 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.68 -53.07 5.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -114.27 -172.6 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.034 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -116.61 104.3 11.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 61' ' ' CYS . 15.5 m -136.04 -179.72 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -124.21 119.03 28.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.79 -138.15 0.01 OUTLIER Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.354 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.98 -36.55 1.93 Allowed 'Cis proline' 0 C--N 1.347 0.496 0 C-N-CA 123.617 -1.41 . . . . 0.0 112.272 0.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.57 ' N ' HG21 ' A' ' 108' ' ' THR . 0.4 OUTLIER -43.62 112.96 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.454 -179.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.536 HD12 ' HA2' ' A' ' 59' ' ' GLY . 10.1 mt -159.11 145.32 16.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.426 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 9.4 m95 -115.4 143.32 45.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.155 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.66 145.34 49.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.809 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.0 t -57.4 131.86 51.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.817 HD11 HD22 ' A' ' 123' ' ' LEU . 13.0 tp -78.43 -23.98 46.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.595 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.8 tp10 -53.54 120.03 5.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 110.954 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -57.08 -35.93 69.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.201 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -78.91 -21.23 47.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.8 t -104.7 122.82 46.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.207 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.42 73.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.461 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -121.3 142.79 49.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.414 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.569 HG22 ' CD ' ' A' ' 56' ' ' LYS . 9.6 t -106.35 120.55 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.632 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -130.85 167.55 22.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.853 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.4 p -107.91 147.48 30.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.907 0.384 . . . . 0.0 110.718 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.83 -169.16 35.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.948 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -56.05 -20.95 19.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.642 0.258 . . . . 0.0 111.526 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -62.17 -18.24 60.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.82 -70.62 0.74 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.022 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.9 t -146.54 16.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.82 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.28 33.12 2.43 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.997 0.427 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -54.37 -34.22 60.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.686 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -39.67 87.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.688 HG23 ' CE2' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -69.93 -48.77 57.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.521 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.31 -49.38 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.281 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.415 ' HA ' ' HG2' ' A' ' 98' ' ' GLU . 8.0 t60 -58.97 -37.07 75.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.113 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 t -61.45 -41.84 97.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.226 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -70.83 -49.76 42.79 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.861 -179.253 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.512 ' HG3' HG23 ' A' ' 99' ' ' THR . 26.5 pt-20 -55.24 -48.11 74.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 98' ' ' GLU . 49.4 p -97.17 9.43 42.18 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp 55.51 22.3 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.681 0.277 . . . . 0.0 111.227 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 99' ' ' THR . 61.3 m170 -87.46 96.17 10.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.037 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.795 ' C ' HD22 ' A' ' 103' ' ' LEU . 21.0 m-85 -88.99 27.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.763 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.795 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.9 mm? -128.0 116.56 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.424 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.9 t -136.29 131.69 34.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.592 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.517 ' HB ' HD13 ' A' ' 75' ' ' LEU . 12.0 p -120.16 119.3 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.406 . . . . 0.0 111.382 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 3.6 p30 -73.83 120.47 19.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.419 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.32 -13.56 61.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.584 -179.621 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.57 HG21 ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -82.11 -30.43 31.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.683 -179.546 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.33 -8.96 11.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.583 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.5 mt 61.77 30.47 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 111.024 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -114.17 140.77 48.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.427 HG21 ' HB2' ' A' ' 123' ' ' LEU . 28.7 t -97.38 150.16 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.229 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 71.3 t-105 -131.0 141.68 50.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.6 t -117.74 112.52 20.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.608 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.688 ' CE2' HG23 ' A' ' 93' ' ' THR . 42.7 m-85 -69.23 -42.1 76.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.641 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.507 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.87 -52.54 65.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.933 0.397 . . . . 0.0 110.977 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.8 m -68.97 -30.17 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 m 76.45 52.18 0.05 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.686 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.42 177.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.057 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -88.53 146.44 25.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.405 HG21 ' CD2' ' A' ' 42' ' ' LEU . 7.7 m -134.69 172.07 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.16 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -119.04 135.08 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.817 HD22 HD11 ' A' ' 75' ' ' LEU . 42.7 tp -100.18 156.83 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.25 122.64 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.78 -33.46 6.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -86.59 101.83 13.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 mt -124.11 164.39 19.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.35 -34.18 33.26 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.4 m -89.11 -31.59 17.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.97 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.752 0.31 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -91.28 69.89 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.44 -168.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.515 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -110.68 137.07 20.67 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.62 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 43' ' ' ASP . 46.1 Cg_endo -68.01 -44.47 3.87 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.735 2.29 . . . . 0.0 113.19 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.653 ' HB3' HD21 ' A' ' 103' ' ' LEU . 23.4 m80 -47.5 -55.51 8.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 111.292 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.606 ' HA ' HG22 ' A' ' 45' ' ' VAL . 3.8 pp -75.16 -31.51 61.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.912 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 29.3 t70 -60.51 -22.05 63.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.064 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.59 -43.27 12.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.242 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.675 HG21 HD23 ' A' ' 75' ' ' LEU . 27.0 m -73.01 125.25 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.76 -151.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.515 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -121.12 147.07 46.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 0.0 111.057 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.644 HD11 ' HB3' ' A' ' 52' ' ' ASP . 16.9 tt -83.59 144.61 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.8 p -81.36 159.82 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.95 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -32.53 74.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.824 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -61.7 -41.82 98.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.034 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.644 ' HB3' HD11 ' A' ' 48' ' ' ILE . 1.7 m-20 -72.48 -46.64 53.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.694 HD22 HD23 ' A' ' 107' ' ' LEU . 56.4 mt -62.95 -31.93 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.359 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.4 tp -55.77 -42.59 70.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 111.092 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 32.3 tt0 -68.63 -47.24 67.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.604 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.523 ' HD3' HG22 ' A' ' 82' ' ' VAL . 45.2 mttt -63.96 -32.24 73.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.91 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 p -70.03 -12.82 61.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.502 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 19.7 mt -62.4 -19.06 63.04 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.703 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 89.6 45.98 4.44 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.257 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.404 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 69.3 p -144.19 138.64 28.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 37.1 t -86.86 137.96 31.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.817 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -77.19 -34.25 56.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.66 -53.07 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.33 -174.91 3.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.87 105.63 16.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.728 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.8 t -149.06 124.34 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.115 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' GLY . 2.0 mm-40 -92.14 102.96 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.806 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.34 -174.58 0.02 OUTLIER Glycine 0 CA--C 1.521 0.463 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.787 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -93.27 -69.6 0.0 OUTLIER 'Cis proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.934 -1.277 . . . . 0.0 112.309 0.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -66.47 93.34 0.23 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.059 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.703 HD12 ' HA2' ' A' ' 59' ' ' GLY . 3.6 mt -101.81 140.27 36.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 31.3 m95 -111.06 149.01 31.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -135.98 142.05 44.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.0 t -56.83 135.31 55.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.796 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.675 HD23 HG21 ' A' ' 45' ' ' VAL . 15.9 tp -85.43 -15.85 41.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.693 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.471 ' HG2' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -56.2 129.21 39.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.768 0.318 . . . . 0.0 110.844 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -62.61 -36.56 83.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.206 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -83.87 -20.6 32.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.341 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.9 t -103.26 127.56 50.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 111.195 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -127.8 69.44 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.44 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -112.97 146.78 38.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.263 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.523 HG22 ' HD3' ' A' ' 56' ' ' LYS . 14.8 t -109.34 120.99 61.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.822 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -137.09 163.81 25.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.818 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.2 p -103.28 135.47 44.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 110.684 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.33 -165.02 0.61 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.777 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -65.2 -14.72 61.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.626 0.25 . . . . 0.0 111.396 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.9 m -62.32 -18.58 61.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.165 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.47 -78.86 0.6 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.688 0.28 . . . . 0.0 111.251 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.9 t -131.08 17.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.706 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 50.88 30.76 5.44 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -53.4 -40.19 64.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 m -59.04 -36.52 75.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.605 HG22 ' OE1' ' A' ' 97' ' ' GLN . 29.5 m -69.56 -51.57 34.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.673 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -56.03 -51.44 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.512 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -57.58 -39.5 76.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.198 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 t -58.02 -43.43 86.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.798 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.605 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.2 OUTLIER -70.81 -48.76 52.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.869 0.366 . . . . 0.0 110.913 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.6 -48.67 48.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.051 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.436 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.5 p -105.83 12.05 31.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 mttt 57.28 22.01 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 111.305 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 99' ' ' THR . 58.6 m170 -86.85 96.34 10.18 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.788 ' C ' HD22 ' A' ' 103' ' ' LEU . 19.3 m-85 -90.19 25.76 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.635 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.788 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.0 mm? -128.53 117.52 21.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 0.0 111.059 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.6 t -137.04 136.08 38.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.778 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 105' ' ' VAL . 14.6 p -120.26 122.34 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.342 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.3 p30 -77.72 124.34 27.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.249 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.694 HD23 HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.51 -21.24 61.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.954 -179.293 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m -78.43 -26.97 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.94 -9.41 10.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.605 0.241 . . . . 0.0 111.644 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.0 mt 59.11 30.76 20.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.302 . . . . 0.0 111.074 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -114.19 143.96 43.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.983 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.489 HG21 HD23 ' A' ' 123' ' ' LEU . 21.4 t -100.43 150.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.297 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -129.93 142.16 50.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 t -116.9 112.23 20.75 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.779 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.42 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 45.1 m-85 -69.36 -42.04 75.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.537 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.533 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.49 -52.47 65.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.071 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.5 m -69.05 -30.02 68.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.345 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.2 m 76.83 54.4 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.714 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.81 -179.89 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -92.88 137.78 32.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.416 HG23 ' HB ' ' A' ' 112' ' ' VAL . 5.3 m -122.42 162.56 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -119.29 137.62 53.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.538 HD21 HD21 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -95.68 148.11 22.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -102.3 135.75 43.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.85 -37.94 12.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? 58.06 36.25 25.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 70.2 mt -114.28 147.54 38.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -82.83 -89.07 0.7 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 28.3 m -163.14 -43.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.92 0.39 . . . . 0.0 111.047 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.859 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.827 0.346 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -103.01 147.65 26.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -91.27 -168.81 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.67 134.6 19.58 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.639 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' ' 43' ' ' ASP . 48.6 Cg_endo -68.26 -44.91 3.12 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.816 2.344 . . . . 0.0 113.101 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 15.6 m80 -46.96 -55.24 8.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.41 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.9 pp -75.31 -34.1 61.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.031 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.46 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 3.0 m-20 -57.23 -21.99 37.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.253 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m -85.61 -43.17 13.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.587 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.663 HG21 HD23 ' A' ' 75' ' ' LEU . 35.5 m -70.11 162.39 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 111.305 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.17 -130.69 6.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -140.53 165.53 27.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.699 HG21 HD21 ' A' ' 53' ' ' LEU . 15.9 tt -107.24 141.22 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.015 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.8 p -77.16 159.98 29.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' O ' HG12 ' A' ' 54' ' ' ILE . 3.7 tttp -60.0 -45.64 92.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.778 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -37.94 76.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.571 ' HB3' HD11 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -66.68 -41.02 88.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.464 179.586 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.726 HD22 HD23 ' A' ' 107' ' ' LEU . 85.1 mt -71.84 -31.77 66.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 54' ' ' ILE . 10.6 mm -54.71 -46.88 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.868 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.553 ' OE1' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -66.47 -40.43 89.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.481 179.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.624 ' HG2' HG22 ' A' ' 82' ' ' VAL . 17.3 mttp -68.95 -32.3 71.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.984 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.3 p -71.68 -12.34 61.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.436 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.553 HD12 ' OE1' ' A' ' 55' ' ' GLN . 18.7 mt -61.85 -19.05 62.18 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.715 0.293 . . . . 0.0 110.964 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.51 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 91.81 46.02 3.78 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.551 -0.833 . . . . 0.0 113.457 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.414 HG22 ' OE1' ' A' ' 67' ' ' GLN . 23.3 p -144.18 137.78 27.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' CB ' HG12 ' A' ' 66' ' ' VAL . 49.0 t -87.45 143.66 27.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.668 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.458 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.14 -42.24 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.88 -53.09 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.22 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.3 p -127.2 -176.93 3.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.99 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -102.46 32.66 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.631 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 88' ' ' GLN . 7.5 p -57.82 -31.75 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.351 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' OE1' HG22 ' A' ' 60' ' ' THR . 0.0 OUTLIER 61.98 159.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.886 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.36 -165.77 38.66 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -71.75 -161.74 2.13 Favored 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 123.478 -1.467 . . . . 0.0 112.255 0.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 60.8 59.92 2.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.591 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.51 HD12 ' HA2' ' A' ' 59' ' ' GLY . 7.3 mt -109.44 151.27 26.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.1 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.456 ' CE3' HG23 ' A' ' 104' ' ' THR . 25.2 m95 -126.15 145.84 50.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.435 ' HB1' ' CE ' ' A' ' 56' ' ' LYS . . . -128.97 141.02 51.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.09 133.03 55.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.659 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.663 HD23 HG21 ' A' ' 45' ' ' VAL . 5.7 tp -89.07 -10.14 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.963 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.7 OUTLIER -53.89 142.79 23.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.826 0.346 . . . . 0.0 110.935 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -69.26 -43.38 74.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -80.86 -22.52 39.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.182 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.0 OUTLIER -101.15 150.03 23.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.928 0.394 . . . . 0.0 111.224 -179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.8 m -150.54 43.93 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.394 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -87.29 148.56 25.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.292 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.624 HG22 ' HG2' ' A' ' 56' ' ' LYS . 2.7 t -108.93 122.3 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.68 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.88 164.05 24.45 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.796 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.446 ' SG ' HG11 ' A' ' 66' ' ' VAL . 4.6 p -103.38 139.18 39.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.699 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.69 -175.74 4.68 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.857 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.95 -20.31 56.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.711 0.291 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.9 m -62.28 -20.18 64.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.057 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.807 ' HB3' HG21 ' A' ' 66' ' ' VAL . 15.0 mm100 -118.36 -67.96 0.95 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 89' ' ' VAL . 15.1 t -145.32 16.29 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.589 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.5 t0 48.13 28.3 1.48 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.959 0.409 . . . . 0.0 111.193 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.83 -38.01 64.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.759 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.9 t -58.72 -37.7 76.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.531 HG22 ' OE1' ' A' ' 97' ' ' GLN . 89.0 m -71.04 -49.31 46.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.637 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -57.36 -51.46 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.924 0.392 . . . . 0.0 110.331 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -58.88 -37.91 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.076 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t -57.91 -43.25 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.765 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.531 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.58 -48.78 53.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.912 0.387 . . . . 0.0 110.936 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.69 -48.66 39.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.043 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.437 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.5 p -107.18 11.83 29.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 mttm 58.12 22.11 8.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.616 0.246 . . . . 0.0 111.355 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 99' ' ' THR . 53.3 m170 -86.73 96.41 10.15 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.698 ' O ' HD22 ' A' ' 103' ' ' LEU . 35.8 m-85 -92.02 26.2 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.823 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.741 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.6 mm? -129.89 119.5 23.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.944 0.402 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.456 HG23 ' CE3' ' A' ' 72' ' ' TRP . 8.8 t -138.97 141.42 38.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.934 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 105' ' ' VAL . 13.8 p -120.22 119.11 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.92 0.39 . . . . 0.0 111.203 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -73.17 121.29 20.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.729 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.726 HD23 HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -72.18 -9.95 59.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.678 -179.764 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -33.53 29.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.632 0.253 . . . . 0.0 111.485 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.03 -4.89 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.69 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 mt 59.9 34.46 21.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.769 0.318 . . . . 0.0 110.954 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 105' ' ' VAL . 14.5 mtp180 -114.11 151.69 32.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.679 HG21 HD23 ' A' ' 123' ' ' LEU . 23.9 t -102.75 150.14 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -132.79 139.74 47.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.417 . . . . 0.0 111.305 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 15.6 t -112.85 111.64 22.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.442 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -69.25 -41.99 76.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.656 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.444 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.63 -52.63 64.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 110.951 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.7 m -69.13 -30.06 68.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.46 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 p 76.88 46.51 0.08 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.584 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.94 -178.47 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.93 138.7 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.27 165.2 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -119.59 123.91 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.679 HD23 HG21 ' A' ' 112' ' ' VAL . 1.5 mm? -87.56 151.64 22.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -133.66 156.84 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.401 ' HB3' HD12 ' A' ' 127' ' ' LEU . 3.0 mtt180 -70.78 -26.28 63.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 28.1 mttm 61.78 35.31 16.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 125' ' ' ARG . 4.8 mt -112.95 -178.36 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 116.41 -45.17 1.32 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.4 -67.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.929 0.395 . . . . 0.0 110.965 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.891 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 mtp85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.822 0.344 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' HB3' ' ND1' ' A' ' 38' ' ' HIS . 4.7 m120 -61.92 -53.81 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.473 ' NE2' HD21 ' A' ' 42' ' ' LEU . 15.3 p-80 -178.47 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.13 132.51 24.33 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.278 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' O ' ' OD2' ' A' ' 43' ' ' ASP . 58.1 Cg_endo -71.05 -26.06 22.0 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.026 2.484 . . . . 0.0 113.796 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.524 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.0 m80 -67.81 -53.56 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.669 0.271 . . . . 0.0 111.543 -179.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.86 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.7 pp -78.52 -37.55 42.74 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 40' ' ' PRO . 8.5 p-10 -59.36 -21.58 60.05 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.426 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.6 m -83.61 -43.19 15.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.722 0.296 . . . . 0.0 111.411 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.609 HG21 HD23 ' A' ' 75' ' ' LEU . 35.5 m -68.82 139.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.239 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.59 -136.59 0.9 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.509 ' HG3' HD13 ' A' ' 123' ' ' LEU . 3.9 tt0 -140.53 160.38 40.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.55 HG22 ' HB2' ' A' ' 52' ' ' ASP . 27.7 mt -106.77 149.14 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.7 p -76.87 160.12 29.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -40.4 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.73 ' HA ' HD12 ' A' ' 54' ' ' ILE . 1.5 mm-40 -58.86 -38.32 78.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.55 ' HB2' HG22 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -72.39 -43.31 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.9 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.05 -31.89 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 51' ' ' GLU . 16.1 mt -56.16 -46.66 81.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.459 ' HA ' HD12 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -64.07 -41.49 97.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.93 0.395 . . . . 0.0 110.418 179.659 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.691 ' HG2' HG22 ' A' ' 82' ' ' VAL . 23.4 mttt -69.06 -32.19 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.847 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.8 p -71.44 -12.51 61.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.362 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 55' ' ' GLN . 17.5 mt -61.88 -19.04 62.22 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.651 0.263 . . . . 0.0 110.928 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.669 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.91 51.57 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.594 -0.813 . . . . 0.0 113.424 178.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.422 ' O ' HG11 ' A' ' 82' ' ' VAL . 0.8 OUTLIER -144.19 138.43 28.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.063 179.384 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 12.2 t -87.03 135.13 33.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.15 -4.71 45.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.539 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -109.0 -53.13 2.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.705 0.288 . . . . 0.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.14 -171.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.962 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -110.55 65.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.267 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.614 HG11 ' NE2' ' A' ' 88' ' ' GLN . 27.5 m -113.72 122.3 67.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.637 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 59' ' ' GLY . 4.0 pt20 -95.74 105.84 17.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.869 0.366 . . . . 0.0 111.338 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 49.63 -177.77 0.02 OUTLIER Glycine 0 CA--C 1.52 0.373 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.983 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -91.5 -73.89 0.0 OUTLIER 'Cis proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.729 -1.363 . . . . 0.0 112.469 0.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.55 94.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.065 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.669 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.1 mt -106.31 146.43 30.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.718 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 16.0 m95 -115.15 148.1 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.37 141.74 48.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 16.8 t -56.01 132.2 49.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.648 HD11 HD12 ' A' ' 123' ' ' LEU . 8.0 tp -83.15 -19.86 35.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.844 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 13.5 tp10 -53.29 128.31 27.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -60.78 -40.76 93.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.253 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 mmm-85 -77.91 -17.06 57.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.518 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 76' ' ' GLU . 1.4 t -108.41 125.7 52.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.914 0.388 . . . . 0.0 111.289 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.4 p -126.11 70.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -118.39 148.6 42.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.371 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.691 HG22 ' HG2' ' A' ' 56' ' ' LYS . 6.6 t -108.21 129.71 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.621 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -139.41 162.6 26.11 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.868 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 21.2 p -103.45 144.69 31.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.588 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.64 -158.13 17.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.86 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.28 -18.57 50.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.654 0.264 . . . . 0.0 111.346 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -18.2 60.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.232 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.614 ' NE2' HG11 ' A' ' 66' ' ' VAL . 14.7 mm100 -126.28 -78.82 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.651 0.262 . . . . 0.0 111.181 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.0 t -143.16 17.26 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.74 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.81 37.43 24.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.993 0.425 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.601 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 m -61.98 -36.36 81.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.394 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.498 HG22 ' OE1' ' A' ' 97' ' ' GLN . 5.4 m -70.93 -47.52 58.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.415 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.5 mt -58.1 -49.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.183 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -59.96 -38.12 81.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.932 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -58.08 -43.29 86.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.604 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.498 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -68.01 -48.58 65.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.795 0.331 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -50.57 -48.71 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.902 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.465 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 58.5 p -107.42 17.18 23.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.617 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 51.3 22.39 1.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 99' ' ' THR . 63.9 m170 -82.63 96.2 8.03 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.412 ' HB3' ' HB2' ' A' ' 115' ' ' TYR . 35.7 m-85 -87.95 12.79 12.36 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.86 HD11 ' HB3' ' A' ' 42' ' ' LEU . 4.6 mm? -114.1 118.88 35.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.024 0.44 . . . . 0.0 111.22 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.438 HG23 ' CE3' ' A' ' 72' ' ' TRP . 12.3 t -139.11 132.47 30.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.845 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.468 ' HB ' HD13 ' A' ' 75' ' ' LEU . 12.9 p -120.41 123.24 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.242 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.1 p30 -76.45 122.66 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.394 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.55 -17.05 61.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.817 -179.456 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.4 m -82.22 -31.52 30.24 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.649 0.241 . . . . 0.0 111.649 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -12.87 13.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.666 0.27 . . . . 0.0 111.554 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.2 mt 62.75 30.55 16.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.282 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -114.28 139.08 49.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.931 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.2 t -94.42 150.23 4.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.422 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 73.7 t-105 -131.98 141.84 49.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.434 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 11.5 t -115.17 110.12 19.02 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.525 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.412 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 20.5 m-85 -69.16 -42.11 76.35 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.641 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.524 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.48 -52.66 64.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.948 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.8 m -69.96 -30.21 67.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.406 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.85 52.75 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.639 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.422 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -174.13 173.29 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.022 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -88.91 136.37 33.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.1 m -127.61 177.56 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -123.5 155.54 37.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.648 HD12 HD11 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -110.63 131.49 55.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.751 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.6 119.3 36.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -100.28 -31.6 11.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -79.87 76.51 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.36 161.71 14.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.962 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -174.05 34.27 0.11 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.544 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.86 -33.18 6.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.789 0.328 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -72.78 -55.9 6.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.692 ' CE1' HD11 ' A' ' 42' ' ' LEU . 6.5 t-160 -130.22 154.26 47.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -63.37 132.9 95.29 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.634 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.84 -43.81 2.38 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.774 2.316 . . . . 0.0 113.102 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 16.8 m80 -47.12 -55.23 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.357 -179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.839 ' O ' HG22 ' A' ' 45' ' ' VAL . 4.2 pp -75.37 -37.06 60.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.957 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.507 ' N ' HD12 ' A' ' 42' ' ' LEU . 10.7 t70 -54.77 -22.07 13.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.374 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.2 m -83.09 -43.07 16.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.268 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 42' ' ' LEU . 21.9 m -60.05 167.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.299 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.555 ' O ' HD11 ' A' ' 123' ' ' LEU . . . -104.46 -122.71 5.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.496 ' HA ' HD21 ' A' ' 123' ' ' LEU . 4.2 tt0 -140.57 155.45 46.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.668 HG21 HD21 ' A' ' 53' ' ' LEU . 4.1 tt -109.86 138.99 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.9 p -83.98 159.84 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.044 0.449 . . . . 0.0 111.307 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -63.61 -33.1 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.816 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.6 tm-20 -58.89 -43.2 90.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.778 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.43 -46.48 54.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.784 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.668 HD21 HG21 ' A' ' 48' ' ' ILE . 18.6 mt -62.15 -31.88 72.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.325 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.7 tt -55.2 -42.26 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 111.109 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -68.62 -42.91 77.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.645 179.766 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' CD ' ' HB1' ' A' ' 73' ' ' ALA . 42.7 mttt -68.05 -32.2 72.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.916 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.5 p -71.86 -12.78 61.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.469 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.19 -19.1 62.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.654 0.264 . . . . 0.0 110.969 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.17 45.2 4.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.709 -0.758 . . . . 0.0 113.07 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -144.4 138.71 27.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.902 0.382 . . . . 0.0 111.006 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.6 t -86.89 143.05 27.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -37.62 53.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.3 -53.08 13.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.4 p -120.61 178.56 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.943 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.17 98.01 7.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.583 HG11 HE21 ' A' ' 88' ' ' GLN . 28.2 m -126.72 -179.33 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -123.75 113.49 18.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.66 -147.12 0.02 OUTLIER Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.627 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.87 ' HB2' HG23 ' A' ' 108' ' ' THR . 55.4 Cg_endo -69.38 -32.42 3.83 Favored 'Cis proline' 0 C--N 1.347 0.487 0 C-N-CA 123.342 -1.524 . . . . 0.0 112.259 0.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.518 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 64.4 m-20 -43.92 91.79 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.392 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 69' ' ' PRO . 5.2 mt -153.15 148.08 26.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.06 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 18.0 m95 -107.05 162.26 14.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.47 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -143.08 142.28 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 t -57.1 131.71 50.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.722 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.664 HD21 HD13 ' A' ' 123' ' ' LEU . 19.6 tp -83.55 -14.57 51.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.873 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 6.9 tp10 -54.77 138.61 41.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.818 0.342 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -66.75 -42.67 85.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -24.17 41.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.159 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -101.05 122.8 44.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.36 . . . . 0.0 111.158 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.6 m -125.04 51.68 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.395 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -96.0 148.62 22.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.327 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 t -105.61 128.65 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.822 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.77 159.41 26.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.719 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.9 p -103.39 143.08 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.78 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.52 -167.7 14.05 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.921 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.87 -19.78 45.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.668 0.27 . . . . 0.0 111.41 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.26 -18.22 60.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.168 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.583 HE21 HG11 ' A' ' 66' ' ' VAL . 2.7 mm100 -123.21 -73.18 0.65 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 89' ' ' VAL . 14.7 t -143.18 15.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.728 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t0 50.76 32.45 7.09 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.911 0.386 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -54.78 -37.36 65.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.788 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.4 m -58.97 -36.59 75.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.595 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.457 HG22 ' OE1' ' A' ' 97' ' ' GLN . 95.9 m -72.12 -48.84 40.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.518 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.29 -50.85 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.994 0.425 . . . . 0.0 110.276 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -60.4 -36.26 77.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.963 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -59.21 -42.46 91.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.457 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.64 -48.7 53.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -49.48 -48.65 47.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.978 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.438 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 46.2 p -106.98 12.76 28.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.59 22.19 6.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.661 0.267 . . . . 0.0 111.375 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.8 m170 -86.74 96.33 10.13 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.769 ' C ' HD22 ' A' ' 103' ' ' LEU . 34.7 m-85 -92.15 26.07 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.453 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.769 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.8 mm? -125.39 117.01 22.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.939 0.4 . . . . 0.0 110.784 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.6 t -137.62 134.59 35.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.8 p -120.15 126.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.948 0.404 . . . . 0.0 111.259 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 9.2 p30 -78.99 123.17 27.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.361 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -72.53 -17.44 61.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.824 -179.555 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.87 HG23 ' HB2' ' A' ' 69' ' ' PRO . 0.2 OUTLIER -82.18 -27.51 32.58 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.202 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.36 -10.47 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.7 mt 60.97 29.87 19.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -114.28 136.68 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.525 HG11 HD22 ' A' ' 75' ' ' LEU . 20.4 t -93.3 150.18 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 56.5 t-105 -132.1 145.41 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.014 0.435 . . . . 0.0 111.369 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 24.9 t -116.71 113.05 22.08 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.544 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -69.27 -42.21 75.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.757 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.528 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -60.15 -52.59 64.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.991 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.1 m -69.76 -30.24 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.537 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.5 m 75.85 53.12 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.629 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.436 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.31 173.75 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.072 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -86.24 139.32 31.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.591 HG21 HD23 ' A' ' 42' ' ' LEU . 11.7 m -136.18 -179.34 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -123.56 145.61 48.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.664 HD13 HD21 ' A' ' 75' ' ' LEU . 41.7 tp -86.86 153.57 21.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -82.47 132.4 35.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.981 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -25.82 36.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.1 156.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 mt 61.12 157.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 90.08 -50.85 3.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.544 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.0 m -62.02 -33.65 74.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.911 0.386 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.916 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.825 0.345 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.1 t30 60.68 95.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -112.51 161.57 16.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -61.82 135.79 94.6 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.535 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.65 -45.07 2.56 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.737 2.291 . . . . 0.0 113.059 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.551 ' HB3' HD21 ' A' ' 103' ' ' LEU . 19.4 m80 -46.48 -55.26 7.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.448 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 39' ' ' CYS . 4.0 pp -74.35 -37.32 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.829 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.518 ' N ' HD12 ' A' ' 42' ' ' LEU . 34.8 t0 -57.66 -21.84 42.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.406 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.3 -43.05 15.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.431 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 42' ' ' LEU . 30.9 m -69.22 -178.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.327 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.32 -159.2 10.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.457 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.538 ' OE1' HD12 ' A' ' 123' ' ' LEU . 5.1 tt0 -115.25 148.02 39.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.782 0.325 . . . . 0.0 110.955 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.582 HD11 ' O ' ' A' ' 74' ' ' CYS . 26.0 mt -95.06 148.64 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -77.22 160.02 29.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.65 -31.57 71.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 54' ' ' ILE . 4.9 tt0 -60.64 -44.82 95.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.43 -45.3 60.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.098 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.33 -31.72 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.365 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -53.53 -42.44 49.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -68.62 -41.82 78.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.64 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HD3' HG22 ' A' ' 82' ' ' VAL . 9.7 mttm -69.02 -32.24 71.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.089 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.5 p -73.75 -12.57 60.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.429 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.9 mt -62.28 -19.06 62.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.623 0.249 . . . . 0.0 110.989 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 90.24 45.34 4.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.987 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 78.8 p -144.05 138.5 28.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.953 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.4 t -86.88 137.72 32.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.769 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.584 ' NE2' HG23 ' A' ' 82' ' ' VAL . 42.8 mt-30 -76.37 -28.5 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.95 -52.97 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.722 ' SG ' HG13 ' A' ' 66' ' ' VAL . 30.7 p -124.4 -166.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.762 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -122.65 63.57 0.97 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.96 0.41 . . . . 0.0 110.741 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.722 HG13 ' SG ' ' A' ' 64' ' ' CYS . 15.5 m -89.07 -19.68 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.397 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 66.22 159.78 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.816 0.341 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.91 -150.0 10.25 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.552 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.96 -52.67 0.15 OUTLIER 'Cis proline' 0 C--N 1.346 0.431 0 C-N-CA 123.173 -1.595 . . . . 0.0 112.391 0.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.547 ' N ' HG21 ' A' ' 108' ' ' THR . 7.8 m-80 -43.72 110.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.408 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.447 HD12 ' HA2' ' A' ' 59' ' ' GLY . 5.2 mt -149.92 141.91 23.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 25.2 m95 -110.94 150.93 28.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' CB ' ' HD2' ' A' ' 56' ' ' LYS . . . -135.13 140.33 45.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.582 ' O ' HD11 ' A' ' 48' ' ' ILE . 16.2 t -55.63 135.61 51.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.946 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.525 HD22 ' CG1' ' A' ' 112' ' ' VAL . 16.8 tp -86.22 -20.27 28.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.544 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.453 ' OE2' HG12 ' A' ' 45' ' ' VAL . 4.9 tp10 -53.45 126.73 22.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.859 0.362 . . . . 0.0 110.994 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -62.11 -35.15 77.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -79.56 -26.17 41.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.8 t -98.1 150.05 21.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.117 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 p -144.23 53.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.353 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -97.58 146.65 25.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.424 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.584 HG23 ' NE2' ' A' ' 62' ' ' GLN . 22.2 t -113.56 114.95 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.614 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -132.33 164.71 23.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.943 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.5 p -103.45 139.19 39.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.982 0.42 . . . . 0.0 110.648 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.61 -169.35 0.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.941 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -65.01 -19.08 65.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.633 0.254 . . . . 0.0 111.298 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -18.6 62.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.166 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.17 -70.97 0.76 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.709 0.29 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 89' ' ' VAL . 12.8 t -143.03 18.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.636 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.45 28.61 4.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.772 0.32 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -41.6 66.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 m -59.21 -35.4 73.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.54 HG22 ' OE1' ' A' ' 97' ' ' GLN . 58.8 m -70.51 -52.55 21.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.01 -51.23 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -57.19 -39.99 76.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.035 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.7 t -58.01 -42.75 85.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.673 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.54 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.56 -49.03 52.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.381 . . . . 0.0 110.946 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.46 -48.59 47.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.001 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 46.8 p -107.8 13.67 26.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.711 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 55.51 22.32 5.03 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.639 0.257 . . . . 0.0 111.516 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.7 m170 -85.74 96.17 9.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.654 ' C ' HD22 ' A' ' 103' ' ' LEU . 23.7 m-85 -88.72 16.31 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.742 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.654 HD22 ' C ' ' A' ' 102' ' ' TYR . 2.7 mm? -117.91 117.35 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 111.027 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.5 t -135.95 134.37 38.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.787 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 111' ' ' ARG . 14.9 p -120.21 123.02 69.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.942 0.401 . . . . 0.0 111.218 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 8.7 p30 -79.21 121.87 25.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.49 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.33 -11.52 60.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.559 -179.716 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.547 HG21 ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -82.1 -32.22 30.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.464 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.33 -9.37 11.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.601 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 110' ' ' LEU . 13.0 mt 62.0 32.9 17.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.941 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.535 ' O ' HG23 ' A' ' 105' ' ' VAL . 16.9 mmm180 -114.14 154.4 27.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.952 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.525 ' CG1' HD22 ' A' ' 75' ' ' LEU . 21.3 t -106.34 150.11 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -130.38 140.88 50.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 13.5 t -117.48 110.59 18.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.831 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 50.1 m-85 -69.36 -41.15 76.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.46 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.501 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.71 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 m -69.53 -29.99 67.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.301 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.66 53.9 0.06 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.29 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.96 176.26 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.034 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -87.87 136.12 33.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.792 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.413 HG23 ' HB ' ' A' ' 112' ' ' VAL . 8.7 m -122.47 166.54 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.26 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -116.66 148.68 40.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.538 HD12 ' OE1' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -99.7 140.27 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.448 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.9 OUTLIER -150.45 154.76 38.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.82 -28.12 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm 60.91 91.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 39.4 mt -98.41 30.14 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -109.81 45.88 1.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.541 HG23 ' H ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -136.02 -81.07 0.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.832 0.349 . . . . 0.0 110.897 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.541 ' H ' HG23 ' A' ' 129' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.814 0.34 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -125.51 -68.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -167.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -104.48 136.6 19.16 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.12 -44.6 3.59 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.707 2.271 . . . . 0.0 113.099 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.527 ' CE1' ' HB3' ' A' ' 116' ' ' ALA . 19.2 m80 -47.49 -55.17 9.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.343 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.558 HD21 ' HB3' ' A' ' 39' ' ' CYS . 4.1 pp -73.57 -34.2 65.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.741 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.475 ' N ' HD12 ' A' ' 42' ' ' LEU . 15.6 t70 -58.95 -21.82 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.256 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.21 -43.22 13.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.716 0.293 . . . . 0.0 111.41 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.698 HG21 HD23 ' A' ' 75' ' ' LEU . 34.1 m -71.7 159.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.141 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.21 -135.15 8.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.404 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -140.42 153.96 46.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.695 HD11 ' O ' ' A' ' 74' ' ' CYS . 25.8 mt -92.13 149.16 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.2 p -76.81 159.98 29.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' O ' HG12 ' A' ' 54' ' ' ILE . 9.8 mmtm -59.16 -44.1 92.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -33.93 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.245 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.56 ' HB2' HG22 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -72.36 -49.71 32.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.739 0.305 . . . . 0.0 110.85 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.7 mt -62.35 -31.91 72.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 50' ' ' LYS . 9.3 mm -56.16 -44.89 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.594 ' HA ' HD12 ' A' ' 58' ' ' LEU . 16.2 mt-30 -68.6 -39.81 80.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.567 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.62 ' HE3' HD13 ' A' ' 48' ' ' ILE . 20.6 mttm -67.63 -32.11 72.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.795 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.0 p -69.57 -12.81 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.648 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 55' ' ' GLN . 3.1 mt -62.05 -19.16 62.61 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.905 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 71' ' ' LEU . . . 87.94 49.25 3.86 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.747 -0.739 . . . . 0.0 113.277 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -144.43 138.57 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 0.0 110.977 179.508 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.2 t -86.9 138.53 31.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.788 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -77.08 -28.05 54.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 91' ' ' HIS . 17.1 t0 -81.22 -53.06 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.225 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.603 ' SG ' HG23 ' A' ' 66' ' ' VAL . 9.9 p -119.03 -174.66 2.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.975 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.03 43.59 1.05 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.42 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.603 HG23 ' SG ' ' A' ' 64' ' ' CYS . 99.2 t -91.73 126.72 44.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.738 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.19 141.82 28.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.37 -139.82 0.01 OUTLIER Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.88 -44.32 0.3 Allowed 'Cis proline' 0 C--N 1.349 0.592 0 C-N-CA 123.493 -1.461 . . . . 0.0 112.406 0.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -48.86 94.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.238 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 59' ' ' GLY . 4.9 mt -142.97 145.85 33.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 15.7 m95 -111.2 161.32 16.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.136 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.42 ' HB1' ' CD ' ' A' ' 56' ' ' LYS . . . -143.07 139.2 30.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.695 ' O ' HD11 ' A' ' 48' ' ' ILE . 14.0 t -55.24 135.15 49.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.698 HD23 HG21 ' A' ' 45' ' ' VAL . 5.9 tp -89.85 -10.38 45.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.894 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.415 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 0.1 OUTLIER -55.41 142.78 31.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -67.3 -45.36 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.212 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -20.78 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.415 ' CB ' ' HB3' ' A' ' 76' ' ' GLU . 1.1 t -103.11 128.94 49.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.979 0.419 . . . . 0.0 111.254 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -129.05 41.72 3.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.352 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.98 148.55 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.335 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.424 HG23 ' OE1' ' A' ' 62' ' ' GLN . 11.6 t -109.15 120.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.777 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -129.33 159.76 22.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.778 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.4 p -103.18 138.6 39.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.333 . . . . 0.0 110.774 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.79 -177.05 4.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.917 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.44 -19.04 54.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -19.16 62.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.979 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -120.37 -70.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 89' ' ' VAL . 8.4 t -141.44 14.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.691 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t0 47.51 29.5 1.41 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.918 0.389 . . . . 0.0 111.175 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' A' ' 63' ' ' ASP . 0.9 OUTLIER -55.47 -35.3 65.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.62 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -59.77 -37.73 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.39 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.513 HG22 ' OE1' ' A' ' 97' ' ' GLN . 89.5 m -71.12 -50.31 34.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.604 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.54 -50.72 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.361 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -58.72 -38.39 78.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.111 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 t -58.42 -43.51 88.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.728 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.513 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.52 -48.69 54.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.836 0.351 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -49.16 -48.65 44.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.139 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.472 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 41.6 p -107.87 14.71 25.14 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER 55.42 22.16 4.79 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 99' ' ' THR . 59.8 m170 -85.91 96.23 9.73 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.804 ' C ' HD22 ' A' ' 103' ' ' LEU . 24.5 m-85 -91.9 31.21 1.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.58 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 102' ' ' TYR . 3.4 mm? -133.14 117.78 17.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.427 HG23 ' CE3' ' A' ' 72' ' ' TRP . 9.0 t -138.27 136.68 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 105' ' ' VAL . 14.8 p -120.22 126.12 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 2.1 p30 -80.07 123.02 27.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.437 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.413 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -72.36 -17.96 61.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.834 -179.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -27.06 33.25 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.07 -5.37 10.51 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.7 mt 56.73 32.32 20.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.807 0.337 . . . . 0.0 111.077 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -114.16 147.42 38.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.5 t -105.05 150.07 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 60.2 t-105 -131.64 142.62 49.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.967 0.413 . . . . 0.0 111.445 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 16.8 t -114.88 112.67 23.1 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.452 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.403 ' HB2' ' HB3' ' A' ' 102' ' ' TYR . 23.6 m-85 -69.46 -42.06 75.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.667 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.527 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.97 -52.72 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.411 . . . . 0.0 110.901 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.8 m -68.97 -30.09 68.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.236 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 m 75.01 54.41 0.07 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.732 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.418 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -176.36 -179.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.214 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.75 147.65 25.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.79 165.78 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -123.51 149.54 45.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.06 131.23 43.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.51 -47.0 71.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -60.02 -31.33 69.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -106.42 78.74 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 30.6 mt 60.13 91.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -155.0 62.48 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.443 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.2 p -104.46 -34.33 8.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.882 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.744 0.307 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -70.54 124.51 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -132.61 -171.9 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.535 ' HB3' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -106.37 132.88 20.53 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.678 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.51 -44.42 4.57 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.823 2.349 . . . . 0.0 113.103 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.487 ' HB3' HD21 ' A' ' 103' ' ' LEU . 21.2 m80 -46.43 -55.19 7.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.461 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 39' ' ' CYS . 3.9 pp -74.15 -36.45 64.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.495 ' N ' HD12 ' A' ' 42' ' ' LEU . 1.4 m-20 -58.05 -21.96 47.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.358 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -83.75 -43.18 15.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.385 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.766 HG21 HD23 ' A' ' 75' ' ' LEU . 27.4 m -71.69 172.88 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.302 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.797 ' O ' HD21 ' A' ' 123' ' ' LEU . . . -112.39 -139.38 7.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.529 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.589 ' HG3' HD23 ' A' ' 123' ' ' LEU . 1.7 tt0 -140.5 164.7 29.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.832 0.349 . . . . 0.0 110.948 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.669 ' HB ' HD21 ' A' ' 53' ' ' LEU . 22.3 mt -112.93 150.77 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.051 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.4 p -76.82 160.05 29.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -63.11 -29.15 70.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 54' ' ' ILE . 21.0 pt-20 -66.09 -41.78 90.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -45.52 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.012 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.669 HD21 ' HB ' ' A' ' 48' ' ' ILE . 20.7 mt -63.44 -31.86 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.252 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.3 tt -54.23 -42.17 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.129 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.409 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -68.53 -44.66 74.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.58 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.821 ' HD3' HG22 ' A' ' 82' ' ' VAL . 50.9 mttt -66.47 -32.29 73.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.157 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.9 p -72.83 -12.61 61.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.438 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.6 mt -62.12 -19.13 62.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.65 0.262 . . . . 0.0 111.037 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.83 50.49 2.29 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.09 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.406 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 34.0 p -144.17 138.33 28.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.593 ' HB2' HG22 ' A' ' 66' ' ' VAL . 11.3 t -87.02 140.75 29.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.591 ' OE1' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.02 -24.92 52.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.32 -52.96 4.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -116.01 -168.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.985 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -116.89 91.16 3.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.593 HG22 ' HB2' ' A' ' 61' ' ' CYS . 27.5 m -132.35 122.01 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -65.7 134.33 52.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.039 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.52 -139.36 2.74 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.426 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.794 ' HB2' HG23 ' A' ' 108' ' ' THR . 56.1 Cg_endo -70.64 -27.54 7.19 Favored 'Cis proline' 0 C--N 1.348 0.532 0 C-N-CA 123.472 -1.47 . . . . 0.0 112.392 0.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.404 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 22.9 m120 -45.88 95.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.342 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.8 mt -152.35 146.18 25.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.025 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.441 ' HA ' ' HA ' ' A' ' 106' ' ' ASN . 13.1 m95 -109.37 151.42 26.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.45 ' HB2' HD11 ' A' ' 107' ' ' LEU . . . -129.29 138.51 51.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.982 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -58.58 125.2 22.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.747 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.773 HD21 HD13 ' A' ' 123' ' ' LEU . 5.2 tp -80.02 -16.36 55.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.648 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.39 117.13 2.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.759 0.314 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -55.94 -37.06 68.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -76.67 -21.98 54.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 t -101.94 150.12 23.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 111.099 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.06 68.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.42 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -127.96 148.58 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.29 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.821 HG22 ' HD3' ' A' ' 56' ' ' LYS . 13.0 t -111.84 129.28 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.844 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.38 165.75 24.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.76 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.0 p -103.39 142.01 34.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.828 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.63 -171.96 11.09 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.865 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -20.17 46.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.671 0.272 . . . . 0.0 111.36 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -62.12 -18.81 61.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -68.1 0.92 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 89' ' ' VAL . 9.8 t -147.68 17.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.764 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t0 47.26 31.03 1.61 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.842 0.354 . . . . 0.0 111.18 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -54.39 -37.71 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.744 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.547 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.545 HG22 ' OE1' ' A' ' 97' ' ' GLN . 30.8 m -71.05 -49.92 39.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.584 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -57.8 -50.33 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.386 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -58.87 -38.85 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.059 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 t -58.05 -43.67 87.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.545 ' OE1' HG22 ' A' ' 93' ' ' THR . 0.1 OUTLIER -70.6 -48.76 53.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.846 0.355 . . . . 0.0 111.031 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -49.71 -48.71 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.106 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.447 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 45.6 p -105.07 11.36 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt 57.94 22.08 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.643 0.258 . . . . 0.0 111.325 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 99' ' ' THR . 55.2 m170 -87.25 96.21 10.25 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.515 ' C ' HD22 ' A' ' 103' ' ' LEU . 21.6 m-85 -87.24 10.71 16.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.924 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.9 mm? -109.79 117.09 32.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.397 . . . . 0.0 110.932 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.6 t -137.55 129.99 29.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.663 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.559 ' HB ' HD13 ' A' ' 75' ' ' LEU . 11.9 p -120.36 120.52 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 111.572 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 72' ' ' TRP . 5.5 p30 -71.64 120.07 16.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.306 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -72.32 -14.93 61.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.718 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.794 HG23 ' HB2' ' A' ' 69' ' ' PRO . 1.3 m -82.0 -28.78 32.4 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.93 -8.21 10.29 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 110' ' ' LEU . 10.4 mt 61.44 32.7 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.345 . . . . 0.0 110.708 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -113.96 135.66 53.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 123' ' ' LEU . 18.4 t -94.46 150.15 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.274 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.426 ' CH2' ' HA ' ' A' ' 119' ' ' LYS . 66.9 t-105 -132.36 143.21 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 19.0 t -117.72 111.42 19.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.724 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -69.22 -42.12 76.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.596 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.476 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . . . -59.16 -52.53 65.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.956 0.408 . . . . 0.0 110.826 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.19 -30.21 68.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.337 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.02 51.14 0.06 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.622 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.426 ' HA ' ' CH2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -173.59 174.27 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.037 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -86.16 145.94 26.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.59 174.43 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.247 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -123.56 122.02 37.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.797 HD21 ' O ' ' A' ' 46' ' ' GLY . 31.0 tp -77.75 154.53 31.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.05 161.9 35.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.19 -32.71 13.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -141.73 135.27 29.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.3 mt -89.13 -32.36 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -106.68 53.3 0.63 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 12.2 m -71.61 -31.63 67.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.907 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_