data_1v9j_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 1v9j _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.97 -47.03 87.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -31.4 72.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -63.08 -52.27 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.4 mt -71.79 -31.34 66.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -67.94 -57.73 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.07 -39.93 87.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -60.41 -50.29 74.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.74 -39.58 87.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -59.84 -50.66 72.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -38.95 60.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.7 -50.99 64.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.4 mt -84.19 -21.32 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 63.3 77.88 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.45 -176.66 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -100.86 -54.74 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -129.62 131.19 46.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.3 m -135.83 147.94 28.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -140.32 120.13 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.4 p -107.52 149.81 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -142.65 162.93 34.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.818 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.781 0.324 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -131.55 130.08 41.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -111.73 130.29 55.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.8 m -127.88 136.05 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.421 HD13 ' CH2' ' A' ' 107' ' ' TRP . 0.5 OUTLIER -125.01 142.08 51.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.4 t -143.99 130.78 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -126.42 119.89 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.17 -176.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -103.01 -17.21 15.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.369 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.03 -30.28 47.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.908 0.385 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.411 ' CE2' HG22 ' A' ' 101' ' ' THR . 9.1 m-85 -75.04 -31.58 61.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -41.53 93.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.84 -32.03 69.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.545 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.69 151.32 37.56 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.26 161.38 2.68 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.591 2.194 . . . . 0.0 112.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.29 -48.32 82.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.76 -30.79 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -66.53 -31.4 72.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -62.48 -56.66 15.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -61.58 -43.52 98.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -31.46 72.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.02 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.21 -47.87 78.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.22 -33.12 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -72.45 -35.69 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.88 -39.77 94.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -59.47 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mt -95.17 45.04 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.0 89.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.1 -35.56 61.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -75.27 -29.82 60.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.297 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.408 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.3 mt -49.49 -58.45 9.04 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.483 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.5 Cg_exo -44.9 -32.55 6.43 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.572 2.181 . . . . 0.0 112.619 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -74.93 -31.55 61.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.016 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.6 mm -74.05 114.45 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -65.23 -32.12 73.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.711 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 117.0 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.447 ' CE1' ' NE2' ' A' ' 99' ' ' GLN . 4.6 t80 -123.23 137.85 54.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.64 119.99 13.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.447 ' NE2' ' CE1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -121.53 152.44 39.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.49 120.07 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.411 HG22 ' CE2' ' A' ' 71' ' ' PHE . 26.9 p -111.17 140.64 45.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.8 mt -149.98 179.99 7.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.18 159.04 30.61 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.83 -29.99 41.18 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.469 2.112 . . . . 0.0 112.244 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -71.92 -43.05 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.791 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -66.17 -47.24 74.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.421 ' CH2' HD13 ' A' ' 65' ' ' LEU . 2.1 t-105 -60.14 -57.27 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.21 -53.9 17.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -59.87 -30.09 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -58.94 -57.38 13.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.86 -31.12 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -68.05 -54.6 17.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -59.56 -30.6 68.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -69.21 -58.82 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.3 mt -58.63 -32.5 69.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.023 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.6 ttp85 -59.83 -53.27 59.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -75.25 -32.19 61.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.043 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.94 -52.63 64.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.5 mt -98.19 -7.09 30.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.374 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 58.81 35.05 24.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.885 0.374 . . . . 0.0 110.806 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 165.72 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.57 -62.67 1.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.796 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.53 143.67 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.4 m -146.04 158.16 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -150.03 121.07 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.0 p -105.19 158.33 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.82 167.99 20.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.796 -179.874 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.777 0.322 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -140.5 150.93 44.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -138.39 120.07 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.644 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.63 154.27 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.322 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.412 HD11 ' CH2' ' A' ' 107' ' ' TRP . 0.8 OUTLIER -123.44 137.85 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.74 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.9 131.22 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.22 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.412 HG21 ' CD2' ' A' ' 107' ' ' TRP . 34.1 t -140.39 119.94 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.984 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.65 178.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.44 -18.6 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.355 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -50.62 -35.02 28.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.852 0.358 . . . . 0.0 111.061 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 20.3 m-85 -75.06 -30.91 61.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.75 -47.29 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.89 -59.99 9.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -77.83 157.48 79.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.691 0.281 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.4 -167.79 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.525 2.15 . . . . 0.0 112.3 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tt -83.78 -33.41 24.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.0 -32.75 61.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -73.06 -45.68 56.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.42 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 13.5 ptp180 -59.73 -44.26 93.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -63.13 -36.14 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -74.35 -32.31 62.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.89 -49.99 75.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.44 -43.58 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.84 -40.54 83.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.37 -37.46 77.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.21 -57.48 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.8 mt -97.34 46.66 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.18 73.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.177 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.08 -34.55 61.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.07 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -75.14 -29.91 60.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.379 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.407 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.0 mt -50.24 -58.24 10.31 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.445 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.407 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.2 Cg_exo -44.78 -32.44 6.09 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.661 2.241 . . . . 0.0 112.521 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -74.98 -31.45 61.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.9 mm -75.05 114.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -65.95 -31.5 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.725 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -154.31 116.79 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -120.29 139.3 52.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -148.11 119.99 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -135.77 147.84 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -113.85 166.09 11.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.418 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 18.4 p -148.24 131.75 16.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -149.36 161.57 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.8 p -84.53 155.26 62.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.54 -48.35 21.87 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.574 2.183 . . . . 0.0 112.248 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -31.0 68.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -73.56 -53.88 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.412 ' CD2' HG21 ' A' ' 67' ' ' VAL . 2.4 t-105 -64.19 -47.71 78.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.996 -179.891 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.2 78.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -31.54 70.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -60.38 -52.74 63.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.1 mt -69.39 -30.82 68.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -69.54 -57.98 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -59.47 -36.6 76.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -60.21 -60.0 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.54 -31.67 72.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -69.92 -44.21 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -75.44 -41.67 55.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.66 -51.61 69.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.444 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 11.9 mt -85.52 -20.17 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 62.15 41.97 10.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.49 -177.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -96.37 -54.6 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.09 129.46 34.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.12 160.16 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -147.82 127.38 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -122.73 143.84 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -139.17 174.06 10.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.5 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -149.98 149.58 30.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -130.81 139.45 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.415 HG21 ' CZ ' ' A' ' 97' ' ' PHE . 11.7 m -130.43 132.74 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD11 ' CZ2' ' A' ' 107' ' ' TRP . 0.4 OUTLIER -115.09 137.42 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.82 136.35 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.419 HG23 ' CD2' ' A' ' 107' ' ' TRP . 23.2 t -142.81 119.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.043 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.94 -178.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.11 -15.62 31.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.412 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -52.55 -35.91 54.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 0.0 111.059 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.444 ' CZ ' ' CD1' ' A' ' 43' ' ' LEU . 12.0 m-85 -75.13 -30.35 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.001 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.0 -31.36 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.47 -30.04 76.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.59 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -112.13 154.68 44.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.48 173.01 8.32 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.562 2.174 . . . . 0.0 112.302 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.8 tp -58.43 -43.34 88.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 pp -59.4 -32.87 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -74.97 -37.02 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.422 ' HG2' ' CD1' ' A' ' 71' ' ' PHE . 67.2 mtt180 -59.51 -43.45 93.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -74.85 -49.25 21.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -60.4 -34.12 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.68 -55.61 28.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.2 t -60.42 -32.6 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -70.32 -41.64 73.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -65.16 -34.76 79.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -60.04 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.835 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.8 mt -99.99 38.01 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.6 91.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -75.16 -42.16 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.29 -29.98 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.449 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.412 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -46.49 -58.49 6.6 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.664 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.412 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.7 Cg_exo -44.9 -33.56 7.6 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.644 2.229 . . . . 0.0 112.517 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -74.97 -30.47 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.4 127.97 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -74.89 -34.12 62.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.699 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.09 116.89 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.957 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.415 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 40.0 t80 -120.68 136.31 54.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -138.66 127.78 24.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.75 158.23 40.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -144.67 120.13 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.5 p -108.85 133.77 52.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mt -147.27 164.52 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.1 p -88.84 154.62 50.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.44 -48.98 19.02 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.563 2.175 . . . . 0.0 112.286 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.6 -33.96 72.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -70.47 -42.82 70.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.422 ' CZ2' HD11 ' A' ' 65' ' ' LEU . 1.8 t-105 -73.57 -46.11 49.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.7 -50.22 71.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -59.95 -30.93 69.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -60.26 -46.49 89.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.0 -31.38 61.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -67.51 -57.47 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.79 -38.09 80.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -60.34 -57.38 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.03 -46.64 80.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -45.45 91.14 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -75.29 -48.05 25.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -59.48 -59.98 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.5 mt -70.94 -23.72 62.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 62.84 82.35 0.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.6 176.39 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -57.03 3.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -128.45 138.91 52.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.0 m -140.17 151.86 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -139.68 122.71 16.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.63 157.07 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.187 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -150.03 158.07 43.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.3 t0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 -179.838 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -107.4 140.68 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -126.61 120.01 28.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.413 HG21 ' CZ ' ' A' ' 97' ' ' PHE . 6.1 m -118.87 141.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.106 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.415 HD12 ' CH2' ' A' ' 107' ' ' TRP . 1.2 tm? -128.52 140.76 51.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.7 t -138.99 143.31 31.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.217 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.419 HG22 ' CD2' ' A' ' 107' ' ' TRP . 24.3 t -145.19 122.6 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.59 172.52 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.35 -21.16 27.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.354 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.99 -30.61 59.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 2.6 m-85 -74.98 -31.25 61.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.32 -31.22 70.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.35 -32.24 83.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -106.85 157.43 35.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.665 0.269 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.37 -168.76 0.27 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.647 2.231 . . . . 0.0 112.229 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 tt -84.93 -31.29 23.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.07 -33.59 61.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -75.06 -50.75 15.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.41 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 18.7 ptt180 -60.21 -44.01 95.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -61.29 -37.85 84.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -72.44 -31.78 65.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.21 -38.91 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.51 -42.58 78.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -69.18 -40.77 77.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -63.5 -34.02 76.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -60.0 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -104.33 52.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.87 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -75.13 -35.81 61.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.997 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.23 -29.91 60.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.359 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.41 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -49.12 -58.57 8.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.54 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.3 Cg_exo -44.92 -32.66 6.59 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.506 2.137 . . . . 0.0 112.607 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -75.0 -31.61 61.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.2 mm -73.68 117.23 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -64.28 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -155.88 116.99 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.977 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.413 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 25.7 t80 -123.36 139.75 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -143.38 120.03 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -114.59 142.8 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -135.05 126.73 29.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.2 p -119.91 139.12 52.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 mt -148.62 156.52 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 16.0 p -79.33 154.86 76.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.49 -48.96 19.16 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.589 2.193 . . . . 0.0 112.291 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.04 -36.84 75.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -64.44 -48.48 75.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.419 ' CD2' HG22 ' A' ' 67' ' ' VAL . 1.5 t-105 -71.52 -35.82 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.02 -50.17 73.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.48 -30.05 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -59.68 -48.81 80.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -74.93 -33.62 61.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.5 ttp85 -69.84 -48.24 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -60.07 -47.38 86.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -59.93 -50.82 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.24 -51.99 57.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -41.36 89.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.052 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -75.35 -44.03 47.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.057 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -67.68 -59.95 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.69 -25.25 65.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 62.0 51.62 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.932 0.396 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.89 179.45 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.15 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -94.62 -51.64 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -137.66 121.6 17.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 m -123.1 161.15 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -149.54 128.33 12.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.0 p -121.02 145.5 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.94 166.06 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.817 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.767 0.318 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -116.57 161.24 19.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -145.14 120.16 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.6 m -120.37 141.89 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.215 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.82 152.27 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.759 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.2 t -149.98 119.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.261 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.96 119.94 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.014 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.93 -172.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -98.37 -0.05 44.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.541 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -59.69 -39.77 85.67 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.813 0.34 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 27.8 m-85 -74.98 -30.39 61.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.99 -30.22 70.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.94 -49.78 74.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.577 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -104.16 163.05 18.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.666 0.27 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.5 -175.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.523 2.148 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 tt -78.74 -33.85 46.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.979 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.05 -31.81 61.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.01 -45.84 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 7.8 ptp180 -60.09 -38.07 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -67.12 -36.51 82.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -71.09 -33.23 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -60.16 -45.73 92.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.73 -42.07 94.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.54 -40.57 80.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.31 -32.23 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.05 -60.02 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mt -108.04 44.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.9 92.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -75.06 -36.05 61.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -29.85 60.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.368 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -48.66 -57.83 9.98 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.589 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -44.89 -31.16 5.01 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.668 2.246 . . . . 0.0 112.583 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -75.0 -32.23 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.415 HD11 HG23 ' A' ' 94' ' ' ILE . 24.4 mm -74.29 113.62 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -60.58 -33.69 73.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.736 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -148.18 118.68 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.988 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -123.18 133.65 54.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -140.7 120.0 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -126.94 145.75 50.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -124.87 130.82 53.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.807 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.414 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 72.0 p -121.21 126.27 49.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.1 mt -149.15 172.64 14.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.0 p -92.85 155.59 41.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.97 -50.26 13.83 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.569 2.179 . . . . 0.0 112.308 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.26 -41.59 89.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -59.72 -48.49 81.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -67.69 -44.89 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.8 -46.27 79.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -31.46 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -60.96 -46.05 92.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.4 mt -73.12 -31.14 64.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -67.2 -59.97 2.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.43 -32.92 71.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -65.12 -59.97 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.7 mt -59.39 -31.36 69.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -59.52 -59.21 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -75.2 -39.27 60.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.1 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -59.1 -59.94 4.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -79.96 -18.23 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 63.66 77.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.18 174.53 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -89.78 -51.64 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -135.1 120.13 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.9 m -116.32 152.96 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -143.75 144.28 31.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.56 158.31 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.65 166.92 23.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t0 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.825 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.814 0.34 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -150.05 144.95 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.13 120.12 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.446 ' CG2' ' CE1' ' A' ' 97' ' ' PHE . 31.4 m -101.56 135.32 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.418 HD12 ' CH2' ' A' ' 107' ' ' TRP . 2.0 tm? -133.18 139.29 46.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -144.23 141.61 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.229 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.405 HG22 ' CD2' ' A' ' 107' ' ' TRP . 23.3 t -133.65 119.98 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 t -176.29 175.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.64 -22.18 21.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.323 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.34 -33.17 52.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -75.06 -30.06 60.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.2 -37.56 87.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.97 -54.72 35.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.538 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -77.83 157.24 79.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.662 0.268 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.14 -171.17 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.57 2.18 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.3 tt -78.41 -31.22 48.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.96 -31.16 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -44.83 54.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -59.01 -40.45 84.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -74.62 -31.45 62.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -73.95 -40.23 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.05 -44.24 96.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.8 t -67.73 -44.48 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -65.68 -47.48 75.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.35 -31.0 69.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.55 -58.6 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.91 39.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.822 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.79 80.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -75.17 -42.19 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -75.27 -29.94 60.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.429 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.41 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.3 mt -46.42 -58.52 6.49 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.575 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.9 Cg_exo -44.95 -33.61 7.76 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.196 . . . . 0.0 112.546 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -75.02 -30.99 61.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.1 mm -74.42 122.72 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -68.18 -34.91 77.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.69 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -149.17 116.95 6.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.978 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.446 ' CE1' ' CG2' ' A' ' 64' ' ' VAL . 18.7 t80 -121.87 130.79 53.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -121.74 119.98 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -100.12 123.96 44.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -132.77 124.14 27.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.802 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.1 p -126.09 144.39 50.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.0 mt -150.02 163.32 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.6 p -88.71 151.32 47.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.8 -44.36 49.9 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.496 2.131 . . . . 0.0 112.298 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -59.89 -46.05 90.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -60.06 -49.55 77.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.418 ' CH2' HD12 ' A' ' 65' ' ' LEU . 3.4 t-105 -61.44 -50.94 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.99 -53.01 9.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -31.57 72.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -60.29 -59.45 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.68 -30.63 70.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -69.74 -60.03 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -60.09 -36.81 78.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -60.09 -42.15 94.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.3 mt -75.06 -49.43 19.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -58.51 -37.9 76.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -75.33 -45.96 36.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.08 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.16 -60.02 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.78 -24.92 67.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.079 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 62.1 46.24 6.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.756 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.31 -176.12 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -97.02 -53.72 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -122.31 146.21 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.7 m -142.62 154.76 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -150.02 130.48 13.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 p -127.71 150.14 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -150.01 174.89 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.6 t70 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.76 -179.751 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.739 0.304 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.419 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 5.5 m-85 -139.37 162.57 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -126.42 120.04 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.79 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.449 ' CG2' ' CZ ' ' A' ' 97' ' ' PHE . 24.8 m -105.79 146.69 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD12 ' CZ2' ' A' ' 107' ' ' TRP . 0.7 OUTLIER -129.61 139.5 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.812 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 t -139.75 145.15 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.232 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.6 t -150.0 119.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.38 168.45 2.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.14 -18.93 52.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.364 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -33.04 62.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.777 0.323 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.418 ' CD1' ' HG2' ' A' ' 79' ' ' ARG . 2.6 m-85 -75.0 -30.53 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -34.56 71.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.65 -29.91 67.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -111.01 154.36 43.47 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.636 0.255 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.32 174.17 5.42 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.629 2.219 . . . . 0.0 112.298 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 tp -59.81 -46.15 90.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -32.71 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.974 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -31.97 61.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.418 ' HG2' ' CD1' ' A' ' 71' ' ' PHE . 31.3 mtt180 -59.77 -59.5 5.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -60.23 -31.35 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -36.15 78.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.87 -49.37 70.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.72 -42.09 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.33 -43.52 94.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.26 -34.36 75.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.13 -59.92 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 mt -100.63 36.61 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.802 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.77 -31.54 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.38 -48.74 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -75.36 -29.93 60.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.625 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -45.06 -58.05 6.22 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.645 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -44.91 -34.62 8.94 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.644 2.23 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -74.93 -30.41 61.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.0 mm -75.33 129.2 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -74.34 -33.96 63.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.732 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.52 116.82 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.987 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.449 ' CZ ' ' CG2' ' A' ' 64' ' ' VAL . 49.9 t80 -123.38 123.32 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -114.68 121.57 43.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.53 142.92 51.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -137.65 128.08 26.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.974 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.416 HG23 ' CE2' ' A' ' 71' ' ' PHE . 24.4 p -117.7 136.75 53.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.857 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.0 mt -145.85 178.26 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.4 p -92.74 155.77 41.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.79 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.82 -36.37 24.0 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.594 2.196 . . . . 0.0 112.268 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.7 -33.28 72.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -74.94 -48.07 26.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.422 ' CZ2' HD12 ' A' ' 65' ' ' LEU . 3.6 t-105 -59.55 -30.92 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 90.3 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.45 86.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -31.39 69.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -68.13 -47.51 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.47 -36.53 81.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.043 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -70.66 -47.4 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.63 -35.64 81.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -60.0 -60.01 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.45 -30.76 70.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -59.94 -60.18 4.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -75.17 -35.61 61.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.07 -52.81 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.055 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD12 ' CZ ' ' A' ' 71' ' ' PHE . 6.3 mt -93.16 -15.5 25.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.275 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 62.35 60.05 1.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 0.0 110.773 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.57 170.82 12.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.2 -53.83 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -130.2 137.1 49.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.807 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.5 m -141.01 147.3 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -144.19 132.62 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -125.4 155.25 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -146.74 167.73 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.826 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.758 0.313 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -135.42 155.16 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -138.02 124.62 20.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.409 HG21 ' CE1' ' A' ' 97' ' ' PHE . 29.9 m -110.95 131.68 61.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.414 HD13 ' CZ2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -117.76 135.38 54.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.24 143.06 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.219 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 t -147.52 119.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.07 -170.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.9 -17.35 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.438 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -52.68 -31.48 37.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.882 0.372 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.445 ' CZ ' ' CG2' ' A' ' 101' ' ' THR . 16.2 m-85 -75.0 -31.51 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -31.35 71.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.67 -40.66 99.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -104.02 153.15 39.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.667 0.27 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.84 167.57 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.573 2.182 . . . . 0.0 112.269 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.65 -43.22 94.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.02 -33.6 76.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.95 -30.15 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.419 ' HD3' ' CD1' ' A' ' 71' ' ' PHE . 68.3 mtt180 -59.13 -56.49 21.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -60.1 -34.48 73.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -70.26 -31.22 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.06 -49.94 65.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.7 -35.86 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.96 -38.78 79.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.48 -42.89 98.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -56.78 17.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.4 mt -99.01 40.98 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.88 85.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -75.06 -36.74 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -75.35 -29.91 60.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.497 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.402 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 5.7 mt -48.37 -57.85 9.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.659 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.6 Cg_exo -44.85 -33.28 7.13 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.584 2.189 . . . . 0.0 112.658 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -75.04 -30.8 61.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.0 mm -75.52 122.24 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -74.54 -31.75 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -149.63 120.18 7.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 98' ' ' GLU . 9.1 t80 -131.15 144.43 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.047 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.45 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 3.5 tt0 -130.95 119.95 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.782 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -100.32 126.54 46.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.044 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.91 120.03 26.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.782 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.445 ' CG2' ' CZ ' ' A' ' 71' ' ' PHE . 18.3 p -129.85 129.7 44.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.9 mt -150.07 162.15 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.03 162.58 51.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.55 -42.86 6.44 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.489 2.126 . . . . 0.0 112.23 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -40.09 89.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -68.09 -50.43 55.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.414 ' CZ2' HD13 ' A' ' 65' ' ' LEU . 2.8 t-105 -59.78 -30.8 69.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.868 0.366 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.68 -52.43 25.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -32.03 71.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -60.75 -54.47 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.32 -41.2 98.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -60.77 -60.1 4.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.13 -35.06 74.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -63.18 -60.02 3.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.16 -35.72 81.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -59.23 -52.24 66.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -75.37 -42.0 55.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -59.54 -51.39 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mt -85.55 -20.92 28.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.07 78.39 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.77 -175.42 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -100.78 -53.91 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -131.33 125.84 33.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 m -124.95 150.07 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.99 126.52 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.4 p -119.95 151.67 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -131.78 159.11 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.8 t0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.761 -179.78 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.839 0.352 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -134.88 158.06 45.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -130.6 127.45 39.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.416 HG23 ' CE1' ' A' ' 97' ' ' PHE . 30.7 m -112.73 129.07 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.411 HD12 ' CH2' ' A' ' 107' ' ' TRP . 1.2 tm? -125.98 142.89 51.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.1 t -147.44 138.27 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.25 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.408 HG21 ' CD2' ' A' ' 107' ' ' TRP . 25.2 t -132.27 119.98 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.31 -176.91 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.928 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.61 -14.5 16.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.498 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -55.3 -30.86 61.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -75.01 -31.01 61.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.13 -30.89 68.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.39 -49.01 83.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.424 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -99.2 154.33 37.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.829 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.54 173.94 7.08 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.583 2.189 . . . . 0.0 112.27 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 11.4 tp -59.45 -43.96 93.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -31.32 68.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -74.96 -57.54 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.33 -33.87 71.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -70.04 -38.52 75.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -75.0 -31.27 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.07 -55.62 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.71 -34.08 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -72.06 -44.8 62.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.24 -34.64 76.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.002 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.22 -57.72 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.2 mt -98.33 46.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.27 -53.69 53.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.08 -32.03 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.21 -29.89 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.298 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.413 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 5.9 mt -51.2 -58.41 10.64 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.479 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.3 Cg_exo -45.02 -31.85 5.97 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.613 2.209 . . . . 0.0 112.541 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -74.97 -31.92 61.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.9 mm -73.7 109.95 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.216 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -60.81 -32.14 71.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.752 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.72 116.87 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.972 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.416 ' CE1' HG23 ' A' ' 64' ' ' VAL . 23.9 t80 -121.27 136.57 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -138.53 119.92 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.91 149.9 36.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.29 119.91 8.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 p -111.43 127.93 55.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.419 HD12 ' CE3' ' A' ' 107' ' ' TRP . 11.9 mt -141.42 151.74 43.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 p -81.13 155.77 72.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.81 -46.5 33.24 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.575 2.183 . . . . 0.0 112.318 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -31.17 68.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -73.63 -52.67 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.419 ' CE3' HD12 ' A' ' 102' ' ' LEU . 1.8 t-105 -61.53 -44.65 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.984 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.829 0.347 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.39 -47.83 80.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -34.72 74.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.87 -58.06 9.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.03 -33.45 73.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.9 ttt-85 -64.24 -60.04 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.36 -32.5 73.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -64.12 -60.01 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.2 mt -59.99 -32.11 70.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -59.34 -60.17 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.08 -31.44 61.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.019 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.9 -55.24 20.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.4 mt -87.54 -18.18 30.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 66.96 87.03 0.13 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.75 177.58 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.05 -57.16 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -127.93 130.95 49.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.7 m -127.78 143.71 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -131.95 127.76 37.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.08 141.83 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -129.18 160.94 31.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.6 t0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.79 -179.828 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.888 0.375 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -138.98 145.49 39.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -123.96 145.15 49.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.418 HG22 ' CZ ' ' A' ' 97' ' ' PHE . 5.6 m -145.81 124.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.423 HD13 ' CH2' ' A' ' 107' ' ' TRP . 1.9 tm? -112.52 139.47 48.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -137.74 126.3 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.413 HG22 ' CD2' ' A' ' 107' ' ' TRP . 22.9 t -123.62 120.06 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.16 162.42 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.28 -15.75 56.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.459 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -30.0 39.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.832 0.349 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -75.1 -31.34 61.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.41 -35.53 77.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.55 -30.08 73.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -110.65 154.46 43.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.678 0.275 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.02 -174.42 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.622 2.215 . . . . 0.0 112.2 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 80' ' ' HIS . 7.0 tt -74.28 -35.35 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.64 -30.83 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -74.87 -53.62 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -59.04 -36.51 75.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.419 ' CE1' HD22 ' A' ' 76' ' ' LEU . 8.9 m170 -69.18 -36.53 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -74.92 -32.28 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.0 -46.46 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 t -65.1 -46.73 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -65.92 -43.55 87.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.2 -34.48 72.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.23 -59.99 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.13 42.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.37 96.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.207 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -75.12 -38.14 61.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.23 -29.88 60.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.443 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.409 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -48.17 -58.42 8.04 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.462 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.6 Cg_exo -44.82 -33.31 7.12 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.562 2.175 . . . . 0.0 112.522 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -75.05 -31.41 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.2 mm -74.08 118.32 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -66.44 -31.85 72.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.719 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.01 118.07 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.418 ' CZ ' HG22 ' A' ' 64' ' ' VAL . 44.6 t80 -125.03 144.9 50.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.062 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -146.87 120.06 8.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -108.81 150.95 26.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -141.39 119.99 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.736 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 74.2 p -113.48 135.96 53.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.3 mt -149.97 148.58 29.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.3 p -79.91 149.86 71.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.49 -42.08 63.71 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.557 2.171 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.94 -31.51 69.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -74.99 -52.89 9.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.423 ' CH2' HD13 ' A' ' 65' ' ' LEU . 2.2 t-105 -59.8 -35.61 75.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 68.5 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.55 -57.86 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -30.57 70.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -59.64 -54.15 49.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.6 mt -69.29 -31.34 69.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -70.72 -51.72 25.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -63.3 -35.76 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -60.06 -59.97 4.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.64 -30.78 71.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -59.74 -54.69 43.33 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -29.94 60.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.123 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.47 -52.89 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.408 HD11 ' CZ ' ' A' ' 71' ' ' PHE . 62.3 mt -99.26 -11.77 20.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.35 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 61.8 65.18 0.94 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.906 0.384 . . . . 0.0 110.82 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.81 168.9 15.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -85.99 -60.44 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -124.89 131.29 53.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.7 m -137.17 143.67 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -137.98 128.54 26.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -116.3 147.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -138.78 161.82 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.823 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.787 0.327 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CD2' HD12 ' A' ' 94' ' ' ILE . 36.1 m-85 -143.31 153.7 43.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -137.13 132.66 34.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.418 HG23 ' CE1' ' A' ' 97' ' ' PHE . 6.3 m -129.89 130.87 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.413 HD12 ' CZ2' ' A' ' 107' ' ' TRP . 0.8 OUTLIER -120.6 134.63 55.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.726 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.75 142.7 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.41 HG23 ' CD2' ' A' ' 107' ' ' TRP . 24.8 t -146.87 120.02 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.983 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.52 177.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.985 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.81 -18.15 31.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.361 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -52.91 -31.91 42.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.868 0.366 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 11.9 m-85 -75.03 -31.71 61.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.37 -31.08 69.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.64 -35.2 88.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -113.38 159.11 36.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.299 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.22 -167.48 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.574 2.182 . . . . 0.0 112.298 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.8 tp -80.84 -30.76 35.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -32.93 61.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -75.03 -47.68 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.422 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 17.0 ptp180 -58.53 -45.92 87.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -65.14 -35.45 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -70.1 -41.87 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.07 -31.67 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.4 -58.51 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -33.75 76.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.12 -37.93 72.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -56.55 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mt -101.21 41.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.55 89.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -75.12 -39.19 60.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -29.95 60.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.394 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.405 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -47.22 -58.33 7.49 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.572 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.405 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.8 Cg_exo -44.95 -32.77 6.77 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.64 2.227 . . . . 0.0 112.595 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -75.03 -31.22 61.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.418 HD12 ' CD2' ' A' ' 62' ' ' PHE . 23.5 mm -74.3 118.26 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -66.01 -31.68 72.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -153.39 117.25 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.418 ' CE1' HG23 ' A' ' 64' ' ' VAL . 18.3 t80 -125.2 140.7 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.98 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -127.33 125.57 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.763 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -117.82 120.96 39.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -129.59 119.97 24.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.806 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.419 HG22 ' CZ ' ' A' ' 71' ' ' PHE . 22.1 p -123.28 141.63 51.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.0 mt -149.93 171.51 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.0 p -91.25 150.67 41.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.94 -45.51 40.46 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.549 2.166 . . . . 0.0 112.276 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.93 -46.35 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.15 -52.35 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.413 ' CZ2' HD12 ' A' ' 65' ' ' LEU . 1.6 t-105 -60.97 -47.05 88.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.764 0.316 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.04 -35.41 78.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.98 -31.3 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -60.08 -50.69 72.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.6 mt -71.38 -30.95 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -69.51 -52.65 24.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.61 -31.23 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -68.37 -60.02 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.28 -44.42 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -58.1 -46.05 86.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -75.31 -40.44 58.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.89 -60.0 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.39 -22.84 61.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.21 72.52 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.739 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.98 169.68 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -78.16 -59.94 2.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -135.1 130.03 34.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.2 m -125.9 147.93 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -137.07 119.98 16.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.7 p -107.97 155.85 8.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -135.55 162.82 31.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.865 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -138.76 125.88 21.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -109.72 120.02 41.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.6 m -110.48 129.97 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.203 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.41 HD12 ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -120.29 138.82 53.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.0 t -140.78 128.67 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.2 t -128.13 119.98 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.61 -176.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.01 -20.2 16.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.384 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -30.94 56.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.985 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.415 ' CE2' HG22 ' A' ' 101' ' ' THR . 2.7 m-85 -75.06 -30.74 61.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -34.1 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.1 -30.02 76.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -100.47 155.39 36.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.705 0.288 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.4 163.93 30.37 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.62 2.213 . . . . 0.0 112.237 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.01 -30.84 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -31.46 61.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -75.02 -31.02 61.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.9 mtm-85 -59.8 -58.09 10.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -62.15 -45.99 90.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -60.51 -33.5 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.1 mt -60.71 -42.04 96.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.5 t -75.05 -33.14 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -71.38 -38.38 71.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.27 -43.67 98.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.977 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -59.37 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.4 mt -97.78 38.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.27 76.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.12 -34.14 61.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.29 -29.89 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.309 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.406 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.1 mt -49.71 -58.07 10.34 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.559 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.1 Cg_exo -44.95 -31.58 5.53 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.56 2.173 . . . . 0.0 112.655 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -75.01 -31.62 61.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.479 HD13 HG23 ' A' ' 94' ' ' ILE . 23.2 mm -74.67 116.43 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.16 -34.36 73.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.77 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 116.89 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.952 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -120.91 143.06 49.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.977 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.53 119.95 13.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.814 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -118.3 144.8 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.32 119.95 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.415 HG22 ' CE2' ' A' ' 71' ' ' PHE . 21.2 p -112.92 137.1 51.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.7 mt -149.92 173.34 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.9 p -93.01 154.34 41.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.54 -29.97 52.35 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.57 2.18 . . . . 0.0 112.212 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.45 -36.23 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -75.13 -45.98 37.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.41 ' CH2' HD12 ' A' ' 65' ' ' LEU . 2.3 t-105 -61.11 -52.41 65.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.978 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.774 0.321 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.06 97.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -31.3 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -62.09 -51.15 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.73 -31.31 70.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -73.96 -51.09 17.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.14 -41.08 91.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -60.3 -53.21 60.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.39 -42.71 99.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -59.89 -46.45 89.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -75.26 -46.7 31.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.44 -48.87 79.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.42 HD22 ' CZ ' ' A' ' 71' ' ' PHE . 13.1 mt -83.58 -24.74 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 64.83 47.27 2.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.23 -175.8 4.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.049 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -96.32 -53.46 3.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -135.51 132.59 37.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.0 m -129.35 152.34 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -140.46 125.46 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 p -114.0 157.38 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -138.25 164.81 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.818 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 76.5 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.746 0.308 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -149.99 131.4 14.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -103.2 135.9 43.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -131.32 133.15 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD22 ' CH2' ' A' ' 107' ' ' TRP . 3.1 tm? -131.2 137.75 49.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.79 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.4 t -131.63 135.1 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -130.58 122.44 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 t -175.12 -179.74 1.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.016 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.12 -18.73 17.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.361 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -29.96 59.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.827 0.346 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CZ ' HD22 ' A' ' 43' ' ' LEU . 50.0 m-85 -75.13 -30.85 60.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.42 -31.25 69.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.27 -29.94 73.4 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.568 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -104.63 154.29 38.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.67 0.271 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.9 160.48 33.26 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.571 2.181 . . . . 0.0 112.227 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.83 -36.63 72.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -33.63 76.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -75.0 -30.09 61.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -58.95 -56.93 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -63.99 -44.68 91.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -59.68 -39.16 83.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mt -60.52 -46.64 89.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.46 -40.14 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.171 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -65.53 -31.19 72.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -66.76 -37.36 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.23 -60.09 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 mt -102.85 44.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.71 -48.77 75.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -75.04 -34.33 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.145 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -75.19 -30.0 60.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.37 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.402 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -50.2 -58.0 11.04 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.501 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.9 Cg_exo -45.02 -32.24 6.37 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.527 2.152 . . . . 0.0 112.544 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -75.06 -31.89 61.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.424 HG21 HD11 ' A' ' 94' ' ' ILE . 22.1 mm -74.58 116.73 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -60.56 -33.83 73.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.974 0.416 . . . . 0.0 110.641 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.71 116.5 5.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.862 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -122.25 142.53 50.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.053 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -143.35 119.92 11.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.36 149.75 44.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.02 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -142.73 145.3 33.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.0 p -124.31 133.34 53.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 mt -149.84 159.87 44.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.753 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.52 161.25 65.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.4 -40.87 5.31 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.53 2.154 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -60.28 -34.81 74.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -74.73 -51.02 15.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.419 ' CH2' HD22 ' A' ' 65' ' ' LEU . 3.1 t-105 -60.37 -50.67 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.0 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.987 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.897 0.38 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.84 -42.56 85.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.175 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -30.64 70.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -59.34 -55.73 31.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.2 mt -64.87 -31.54 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -66.92 -58.7 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -59.1 -31.03 68.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -60.55 -59.32 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.49 -31.43 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -55.86 28.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -32.8 61.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.08 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.16 -53.76 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mt -89.33 -16.72 30.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 63.17 77.98 0.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.908 0.385 . . . . 0.0 110.779 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.11 174.04 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.074 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -86.57 -58.39 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -132.16 127.43 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.3 m -128.91 143.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.07 144.52 51.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.7 p -126.23 156.03 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.37 172.77 12.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.769 -179.81 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -150.01 152.2 34.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -118.76 127.05 53.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.438 ' CG2' ' CZ ' ' A' ' 97' ' ' PHE . 31.3 m -103.7 137.7 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.343 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.416 HD11 ' CH2' ' A' ' 107' ' ' TRP . 2.8 tm? -132.62 132.64 42.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.745 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -138.2 144.29 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.416 HG21 ' CD2' ' A' ' 107' ' ' TRP . 24.8 t -135.43 119.9 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.029 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.79 -175.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -96.92 0.62 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.529 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -59.46 -42.17 91.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 41.1 m-85 -75.01 -30.74 61.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.54 -45.23 92.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.37 93.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -90.49 156.7 45.3 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.813 0.339 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 179.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.571 2.181 . . . . 0.0 112.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -44.23 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.1 -30.95 61.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -62.38 -48.71 78.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.422 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 5.5 ptp180 -59.51 -38.98 82.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -70.29 -39.95 74.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -73.22 -32.52 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 mt -59.29 -44.82 92.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.7 t -64.52 -45.59 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -65.61 -39.08 91.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.9 -36.6 77.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.1 t -61.23 -56.82 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 mt -97.34 39.67 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.88 95.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.214 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.14 -37.83 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.27 -29.91 60.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.431 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.406 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -48.5 -58.11 9.1 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.603 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.0 Cg_exo -44.94 -32.96 6.94 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.569 2.18 . . . . 0.0 112.589 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -75.01 -30.87 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.43 127.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -67.72 -37.03 81.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.399 . . . . 0.0 110.612 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.32 117.11 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.438 ' CZ ' ' CG2' ' A' ' 64' ' ' VAL . 33.1 t80 -121.02 135.24 55.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.017 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -124.07 136.03 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.801 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -119.36 121.39 39.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -133.84 120.98 21.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.42 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 20.1 p -119.04 148.95 42.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.8 mt -150.07 152.53 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 73.0 p -77.67 152.78 80.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.38 -45.28 40.7 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.528 2.152 . . . . 0.0 112.313 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.93 -40.65 89.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -61.71 -52.34 64.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.416 ' CD2' HG21 ' A' ' 67' ' ' VAL . 1.5 t-105 -63.13 -49.42 74.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.849 0.356 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.68 88.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -31.84 73.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -67.27 -55.49 13.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.4 mt -64.84 -30.86 71.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -69.36 -60.03 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -59.89 -31.16 69.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -64.73 -60.12 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.7 mt -58.91 -31.52 68.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -60.87 -60.07 4.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -75.19 -39.66 59.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.058 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -59.01 -52.93 63.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 mt -87.44 -18.92 28.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 64.37 79.85 0.25 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.836 0.35 . . . . 0.0 110.829 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.57 161.57 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.47 -44.98 41.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -148.16 138.95 23.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.9 m -136.12 156.51 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -140.0 120.05 13.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.817 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -107.1 148.01 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.14 158.98 43.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.791 -179.796 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.795 0.331 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -149.99 164.04 36.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -143.25 133.35 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.418 HG11 ' CZ ' ' A' ' 97' ' ' PHE . 31.0 m -124.24 130.83 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.418 HD13 ' CH2' ' A' ' 107' ' ' TRP . 2.1 tm? -123.49 138.38 54.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.01 137.78 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.423 HG21 ' CD2' ' A' ' 107' ' ' TRP . 22.8 t -137.29 120.0 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.42 175.28 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.039 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.02 -21.44 21.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.332 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -30.24 52.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -75.09 -30.73 60.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.47 -39.38 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.08 -52.25 53.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -74.37 155.64 87.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.64 0.257 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.72 167.21 21.75 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.584 2.189 . . . . 0.0 112.219 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.8 tp -59.21 -42.33 90.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -31.07 71.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -74.83 -35.75 62.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -60.29 -53.49 57.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -64.86 -36.22 83.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -73.73 -32.06 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.17 -40.42 89.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.7 t -74.94 -35.43 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -72.33 -45.89 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -61.07 -34.36 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.9 t -60.29 -57.81 11.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.8 mt -103.62 47.62 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.784 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.58 94.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.215 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.16 -38.57 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.043 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -75.23 -29.95 60.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.453 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.413 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 5.6 mt -47.79 -58.51 7.52 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.533 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.9 Cg_exo -44.88 -33.26 7.19 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.583 2.188 . . . . 0.0 112.589 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -74.89 -31.64 61.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 26.6 mm -73.62 110.54 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -60.44 -33.2 72.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.732 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -149.44 116.63 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.907 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.418 ' CZ ' HG11 ' A' ' 64' ' ' VAL . 26.5 t80 -116.2 137.2 52.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -132.14 120.0 21.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.773 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.84 148.4 42.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 119.98 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.7 p -105.12 140.92 37.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.993 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 mt -150.01 156.89 42.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.0 p -87.24 153.73 54.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.6 -45.79 37.79 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.605 2.203 . . . . 0.0 112.318 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.94 -31.99 70.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -72.11 -43.31 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.423 ' CD2' HG21 ' A' ' 67' ' ' VAL . 2.2 t-105 -75.0 -43.01 56.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.037 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.824 0.345 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.6 93.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.23 -32.04 73.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -60.62 -53.48 57.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.9 mt -71.14 -30.57 66.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -67.38 -59.96 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.91 -31.98 71.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -67.38 -55.77 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.12 -43.88 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -58.78 -48.53 80.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -75.24 -45.86 37.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.51 -60.01 4.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.2 mt -72.52 -24.2 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 64.4 76.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.15 174.92 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -88.71 -57.85 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -131.26 131.0 43.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.62 162.32 39.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.03 120.01 7.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 p -107.23 156.02 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -143.33 159.98 41.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.764 -179.83 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.794 0.33 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -114.48 144.48 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -133.28 121.59 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.778 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.417 HG23 ' CE1' ' A' ' 97' ' ' PHE . 29.8 m -119.33 139.7 45.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.415 HD12 ' CH2' ' A' ' 107' ' ' TRP . 0.4 OUTLIER -120.59 136.03 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.1 t -133.95 137.31 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.212 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.0 t -141.92 119.91 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.22 177.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.81 -18.13 24.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.399 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -32.39 57.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.841 0.353 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -75.07 -30.86 61.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.01 -32.02 70.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.71 96.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.425 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -91.45 160.14 37.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.659 0.266 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.55 167.85 17.94 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.541 2.161 . . . . 0.0 112.241 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.18 -45.91 89.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.03 -30.96 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -75.07 -30.38 60.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -59.07 -57.79 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -62.68 -37.2 85.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -31.28 70.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mt -62.15 -49.14 77.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 t -62.0 -32.43 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -71.82 -40.89 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.75 -33.34 75.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.19 -59.99 4.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mt -108.14 45.68 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.69 -31.41 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -75.25 -49.05 20.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -75.3 -29.73 60.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.345 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.464 ' N ' ' HD2' ' A' ' 92' ' ' PRO . 5.7 mt -44.77 -60.2 3.3 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 91' ' ' LEU . 7.9 Cg_endo -50.67 -29.86 26.93 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.424 2.083 . . . . 0.0 112.282 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -74.13 -29.96 62.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.79 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.6 mm -71.25 118.04 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -65.05 -31.33 72.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -155.09 116.73 4.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.0 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 98' ' ' GLU . 8.3 t80 -126.12 146.32 49.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.994 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.424 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 0.4 OUTLIER -139.87 120.02 13.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.777 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.3 136.4 53.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -130.04 119.99 24.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.819 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.1 p -115.15 134.32 55.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.7 mt -149.97 167.37 26.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 81.5 p -87.13 154.82 55.03 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.23 -30.83 54.52 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.52 2.147 . . . . 0.0 112.187 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.42 -34.79 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -74.95 -49.04 21.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.415 ' CH2' HD12 ' A' ' 65' ' ' LEU . 2.0 t-105 -59.54 -43.53 93.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.5 -56.8 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.93 -31.42 69.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.24 -58.0 10.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.8 -31.08 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -71.29 -59.17 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.74 -30.83 69.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -69.96 -60.04 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -61.07 -38.31 85.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -58.13 -51.42 69.79 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -75.33 -40.6 58.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.27 -60.04 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mt -76.82 -20.91 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 64.07 80.05 0.24 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.55 168.62 9.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.66 -56.4 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -132.25 132.28 42.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.9 m -126.67 145.77 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -139.35 120.02 14.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.813 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.2 p -107.63 150.84 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -132.9 162.91 30.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.794 -179.796 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.885 0.374 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -150.03 151.11 32.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 ttp85 -123.91 128.99 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.421 HG22 ' CE1' ' A' ' 97' ' ' PHE . 13.3 m -120.42 130.09 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.421 HD12 ' CH2' ' A' ' 107' ' ' TRP . 0.7 OUTLIER -122.88 139.42 54.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.16 132.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.42 HG21 ' CD2' ' A' ' 107' ' ' TRP . 22.1 t -132.3 119.99 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.005 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.92 172.68 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.83 -19.63 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.285 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.61 -31.04 56.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.058 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 2.7 m-85 -74.96 -31.18 61.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -41.28 93.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.04 -30.08 66.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -104.0 155.38 37.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.701 0.286 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.49 -173.0 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.539 2.159 . . . . 0.0 112.261 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tt -79.3 -31.78 43.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -31.56 61.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.01 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -72.71 -48.85 35.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.412 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 4.3 ptp180 -59.64 -38.7 82.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -69.97 -50.04 45.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -64.6 -31.11 72.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.2 -51.03 71.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.4 t -62.43 -36.2 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.33 -40.01 74.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -60.3 -38.18 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.14 -58.43 8.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -103.82 54.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.62 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.192 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -75.04 -33.39 61.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.019 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -29.9 60.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.345 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.409 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.1 mt -50.27 -58.5 9.51 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.492 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.1 Cg_exo -45.0 -32.14 6.2 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.566 2.177 . . . . 0.0 112.607 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -74.99 -31.75 61.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.7 mm -73.76 112.33 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -60.22 -36.41 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.718 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.4 116.69 5.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.421 ' CE1' HG22 ' A' ' 64' ' ' VAL . 24.3 t80 -115.71 144.44 43.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -145.16 120.02 9.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.09 154.84 34.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.64 124.58 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.0 p -113.98 136.05 53.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.2 mt -146.1 160.37 42.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.8 p -82.34 148.59 59.67 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.5 -43.1 57.25 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.577 2.185 . . . . 0.0 112.266 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.7 -45.38 92.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -60.29 -49.9 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.421 ' CH2' HD12 ' A' ' 65' ' ' LEU . 1.6 t-105 -62.67 -30.02 71.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.0 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.815 0.341 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.99 -55.57 33.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.48 -30.0 70.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.025 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -58.92 -49.51 77.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.1 mt -71.39 -31.21 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -67.58 -56.29 10.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.28 -31.19 70.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.026 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -59.82 -59.96 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.2 -30.04 70.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -58.98 5.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.331 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.23 -29.97 60.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.189 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.92 -49.51 75.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.03 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.406 HD13 ' CZ ' ' A' ' 71' ' ' PHE . 4.8 mt -114.13 9.5 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.424 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 52.5 95.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.768 0.318 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.15 154.33 29.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -81.94 -41.36 20.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -146.71 127.0 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.3 m -128.74 155.41 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.06 133.06 16.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.7 p -110.72 158.37 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -136.09 163.21 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.006 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.716 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.764 0.316 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -150.09 149.59 30.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -123.51 119.97 31.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.613 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.17 124.77 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.278 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD11 ' CH2' ' A' ' 107' ' ' TRP . 2.4 tm? -116.44 138.0 51.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.737 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -144.99 136.89 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.263 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.413 HG23 ' CD2' ' A' ' 107' ' ' TRP . 22.6 t -127.14 119.97 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.002 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -176.97 178.14 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -92.14 -17.5 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.44 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -33.19 26.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.785 0.326 . . . . 0.0 111.103 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.416 ' CE1' HG23 ' A' ' 101' ' ' THR . 40.7 m-85 -75.06 -31.15 61.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.97 -30.83 71.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.51 -49.46 37.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -85.61 148.04 48.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.679 0.276 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.63 -169.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.55 2.166 . . . . 0.0 112.332 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 tt -83.01 -37.41 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.04 -30.57 61.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.996 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -44.41 64.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -59.32 -40.13 85.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.838 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -71.79 -38.02 70.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 -69.28 -31.4 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.2 -49.71 73.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.92 -33.89 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -70.93 -29.93 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.97 -60.07 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.0 p -63.15 -40.02 96.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -98.54 29.78 3.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.61 -45.54 61.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.39 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.09 -38.0 61.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.08 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -75.4 -30.0 59.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.413 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mt -48.19 -57.53 10.27 Favored Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.685 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -44.7 -33.85 7.49 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.53 2.153 . . . . 0.0 112.579 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -75.07 -31.0 61.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.4 mm -75.69 110.46 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.27 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -32.33 72.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.471 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -149.18 116.24 6.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.801 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -117.45 138.64 51.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.039 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.63 119.97 14.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.705 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -109.07 151.25 26.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -147.27 119.99 8.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.806 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.416 HG23 ' CE1' ' A' ' 71' ' ' PHE . 16.3 p -114.03 132.03 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.6 mt -141.4 145.62 35.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.7 p -74.68 154.34 87.35 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.17 -47.8 25.56 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.549 2.166 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.02 -41.05 86.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.69 -41.94 96.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.422 ' CH2' HD11 ' A' ' 65' ' ' LEU . 2.1 t-105 -73.57 -37.41 65.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.798 0.333 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.36 -53.83 25.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.191 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -30.56 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -59.73 -55.04 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.6 mt -65.28 -31.28 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -68.09 -60.0 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.44 -40.48 96.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -60.04 -56.05 26.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.17 -41.35 92.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -59.01 -45.25 91.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -75.32 -46.35 33.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.03 -49.74 76.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -80.9 -21.22 40.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 62.55 43.66 7.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.94 0.4 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.69 164.02 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.44 -61.15 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -130.31 147.75 52.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.8 m -145.83 159.73 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.195 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.01 129.2 12.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -108.9 158.46 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -147.29 163.69 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.766 -179.794 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.87 0.366 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -150.02 151.64 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.017 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -126.24 149.04 49.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.802 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.75 154.15 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.248 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD13 ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -116.6 137.05 52.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.778 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.19 125.76 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.52 119.96 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.92 165.09 3.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.35 -19.14 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.422 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -33.54 54.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.851 0.358 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CD2' ' HB ' ' A' ' 101' ' ' THR . 2.7 m-85 -74.9 -30.9 61.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.986 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -31.05 70.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.91 -34.08 76.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -101.3 152.85 38.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.676 0.274 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.52 170.29 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.579 2.186 . . . . 0.0 112.276 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.93 -49.77 66.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.71 -31.49 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -65.48 -30.03 70.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -59.25 -54.95 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -60.36 -35.85 76.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -40.15 92.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.68 -46.17 86.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.73 -37.93 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -66.96 -35.43 79.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.15 -37.58 87.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.06 -60.0 4.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.4 mt -99.58 47.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.19 -53.11 61.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.2 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -75.07 -32.57 61.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.2 -29.87 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.386 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.405 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.1 mt -51.41 -58.03 12.17 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.527 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.405 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.1 Cg_exo -44.96 -31.9 5.89 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.654 2.236 . . . . 0.0 112.541 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -74.98 -31.78 61.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.3 mm -74.99 117.12 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -63.36 -35.79 81.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.677 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.54 116.48 4.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -119.02 142.64 47.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.043 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -139.82 119.93 13.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.815 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -119.59 130.54 55.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.969 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.2 123.43 46.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.42 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 18.8 p -120.19 132.66 55.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.7 mt -144.94 165.91 26.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 16.7 p -79.56 147.6 67.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.19 -47.47 26.81 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.56 2.174 . . . . 0.0 112.262 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.91 -40.81 90.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.33 -55.01 36.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.422 ' CH2' HD13 ' A' ' 65' ' ' LEU . 1.9 t-105 -59.06 -34.46 71.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.2 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.032 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.798 0.333 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.04 93.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -60.7 -31.09 70.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -61.29 -48.45 81.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.8 mt -68.25 -36.94 80.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -69.18 -53.6 19.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.22 -30.71 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -63.8 -60.06 3.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.84 -30.0 70.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 ttp85 -57.56 -55.48 34.26 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.24 -30.61 60.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.065 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -57.02 10.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.62 -14.73 39.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.265 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 61.22 59.37 1.98 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.013 0.435 . . . . 0.0 110.807 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.85 174.27 11.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.152 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -94.01 -52.5 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -125.48 134.49 52.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.5 m -131.79 145.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -143.44 124.82 14.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.04 145.69 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -144.26 165.09 28.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t0 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.743 -179.858 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.811 0.338 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -150.06 150.21 31.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.72 140.57 51.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.768 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.36 146.87 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.418 HD12 ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -133.52 133.94 42.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.833 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.85 128.0 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.234 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.419 HG23 ' CD2' ' A' ' 107' ' ' TRP . 23.3 t -134.33 119.87 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.89 179.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.59 -16.74 41.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.413 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -51.72 -33.42 34.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.82 0.343 . . . . 0.0 111.062 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.411 ' CD2' ' HB ' ' A' ' 101' ' ' THR . 23.2 m-85 -74.9 -30.66 61.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.62 -31.61 72.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.42 -49.77 74.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.06 159.64 30.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.708 0.289 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.38 -175.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.178 . . . . 0.0 112.334 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tp -79.81 -44.31 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.06 -31.08 61.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -48.07 69.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -59.58 -38.66 81.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -62.05 -39.24 91.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -70.53 -30.77 67.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.93 -45.24 90.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.59 -36.49 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -74.92 -37.34 62.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.73 -51.12 71.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.0 t -60.07 -39.33 85.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.12 26.35 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.87 -43.22 96.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.391 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.14 -40.82 59.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.207 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -75.33 -32.53 60.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.689 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -45.34 -57.02 8.16 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.749 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -44.72 -35.99 10.0 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.584 2.19 . . . . 0.0 112.501 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -75.12 -31.02 61.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.1 mm -74.79 113.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.287 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -61.18 -33.7 73.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.007 0.432 . . . . 0.0 110.462 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.04 116.27 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.749 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -116.81 120.66 39.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -128.95 119.95 25.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.717 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.37 141.52 51.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.33 120.03 27.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.789 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.411 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 73.4 p -109.16 135.14 50.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.6 mt -149.69 163.72 37.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.1 p -80.23 153.14 74.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.27 -53.98 5.99 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.53 2.154 . . . . 0.0 112.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.46 -36.31 75.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -44.38 97.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.419 ' CD2' HG23 ' A' ' 67' ' ' VAL . 1.6 t-105 -74.87 -34.93 62.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.05 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 ttm . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.837 0.351 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -143.77 35.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.76 -61.82 3.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.52 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.93 122.72 27.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -100.74 167.62 10.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -164.88 -44.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -129.76 111.57 12.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -46.06 32.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.19 -179.64 5.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -93.99 152.03 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -63.44 157.85 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 m -139.41 164.01 31.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -156.43 175.59 13.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.83 121.71 1.98 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.19 108.11 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 111.068 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 m -68.9 146.48 52.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -101.79 117.05 34.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 m -142.27 148.93 49.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.87 134.31 25.36 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.602 2.201 . . . . 0.0 112.273 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -176.2 -68.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.83 153.73 22.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.15 -169.99 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.983 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -90.79 170.36 10.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.86 -155.96 7.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.48 -77.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -161.8 29.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.9 m -59.44 -30.33 68.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.969 0.414 . . . . 0.0 110.671 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.9 tpp -110.35 -26.21 9.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.944 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -100.26 131.03 46.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.5 mp 59.31 95.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -150.79 156.88 42.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.97 -47.03 87.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -31.4 72.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -63.08 -52.27 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.4 mt -71.79 -31.34 66.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -67.94 -57.73 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.07 -39.93 87.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -60.41 -50.29 74.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.74 -39.58 87.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -59.84 -50.66 72.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -38.95 60.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.7 -50.99 64.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.4 mt -84.19 -21.32 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 63.3 77.88 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.45 -176.66 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -100.86 -54.74 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -129.62 131.19 46.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.3 m -135.83 147.94 28.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -140.32 120.13 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.4 p -107.52 149.81 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -142.65 162.93 34.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -150.1 148.28 28.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.818 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.2 p -97.91 38.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 m 61.25 112.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.0 mt -60.4 -34.25 73.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -70.07 78.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -176.8 164.78 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 39.3 m -60.67 -42.21 96.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.79 142.35 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.7 t -133.65 127.15 32.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.6 p -140.33 152.23 45.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -131.55 130.08 41.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -111.73 130.29 55.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.8 m -127.88 136.05 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.421 HD13 ' CH2' ' A' ' 107' ' ' TRP . 0.5 OUTLIER -125.01 142.08 51.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.4 t -143.99 130.78 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -126.42 119.89 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.17 -176.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -103.01 -17.21 15.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.369 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.03 -30.28 47.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.908 0.385 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.411 ' CE2' HG22 ' A' ' 101' ' ' THR . 9.1 m-85 -75.04 -31.58 61.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -41.53 93.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.84 -32.03 69.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.545 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.69 151.32 37.56 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.26 161.38 2.68 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.591 2.194 . . . . 0.0 112.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.29 -48.32 82.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.76 -30.79 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -66.53 -31.4 72.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -62.48 -56.66 15.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -61.58 -43.52 98.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -31.46 72.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.02 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.21 -47.87 78.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.22 -33.12 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -72.45 -35.69 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.88 -39.77 94.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -59.47 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mt -95.17 45.04 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.0 89.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.1 -35.56 61.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -75.27 -29.82 60.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.297 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.408 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.3 mt -49.49 -58.45 9.04 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.483 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.5 Cg_exo -44.9 -32.55 6.43 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.572 2.181 . . . . 0.0 112.619 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -74.93 -31.55 61.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.016 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.6 mm -74.05 114.45 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -65.23 -32.12 73.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.711 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 117.0 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.447 ' CE1' ' NE2' ' A' ' 99' ' ' GLN . 4.6 t80 -123.23 137.85 54.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.64 119.99 13.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.447 ' NE2' ' CE1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -121.53 152.44 39.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.49 120.07 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.411 HG22 ' CE2' ' A' ' 71' ' ' PHE . 26.9 p -111.17 140.64 45.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.8 mt -149.98 179.99 7.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.18 159.04 30.61 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.83 -29.99 41.18 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.469 2.112 . . . . 0.0 112.244 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -71.92 -43.05 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.791 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -66.17 -47.24 74.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.421 ' CH2' HD13 ' A' ' 65' ' ' LEU . 2.1 t-105 -60.14 -57.27 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 m -60.17 -31.06 69.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -60.08 -50.95 71.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -137.27 87.5 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 ptt85 -117.96 76.45 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -91.18 -42.7 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.87 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.847 0.356 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -176.42 165.95 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.01 48.93 2.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.38 145.93 37.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -159.69 99.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 60.54 172.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -129.57 87.91 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -157.74 175.59 13.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -127.84 176.83 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 63.55 139.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 59.99 102.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 m -89.99 104.46 17.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -84.09 -44.81 13.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.47 124.79 8.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.03 -45.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.309 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.2 m -151.64 154.87 37.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -131.71 160.3 35.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 m -148.94 159.97 36.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.054 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.07 148.59 23.52 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.577 2.185 . . . . 0.0 112.359 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -102.97 -58.73 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.28 103.64 0.16 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.49 167.01 11.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.357 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 60.61 91.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.76 28.43 13.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.76 -46.9 0.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.352 . . . . 0.0 111.111 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 61.9 28.76 17.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -30.11 66.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.673 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.2 mtt -110.04 -26.96 9.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.866 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 60.77 92.85 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp 60.41 111.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.033 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.8 m -106.97 171.84 7.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.21 -53.9 17.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -59.87 -30.09 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -58.94 -57.38 13.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.86 -31.12 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -68.05 -54.6 17.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -59.56 -30.6 68.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -69.21 -58.82 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.3 mt -58.63 -32.5 69.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.023 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.6 ttp85 -59.83 -53.27 59.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -75.25 -32.19 61.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.043 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.94 -52.63 64.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.5 mt -98.19 -7.09 30.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.374 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 58.81 35.05 24.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.885 0.374 . . . . 0.0 110.806 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 165.72 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.57 -62.67 1.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.796 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.53 143.67 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.4 m -146.04 158.16 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -150.03 121.07 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.0 p -105.19 158.33 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.82 167.99 20.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -150.02 130.6 13.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.796 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.5 p -122.41 37.44 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -137.37 119.95 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.7 mt -95.41 -40.44 9.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -101.63 -178.21 3.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -85.65 85.82 7.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.11 127.34 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 69.02 -66.2 0.26 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.417 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 63.19 77.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.004 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 p -92.5 143.45 26.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.778 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.417 ' CZ ' HG21 ' A' ' 60' ' ' THR . 96.1 m-85 -140.5 150.93 44.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -138.39 120.07 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.644 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.63 154.27 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.322 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.412 HD11 ' CH2' ' A' ' 107' ' ' TRP . 0.8 OUTLIER -123.44 137.85 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.74 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.9 131.22 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.22 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.412 HG21 ' CD2' ' A' ' 107' ' ' TRP . 34.1 t -140.39 119.94 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.984 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.65 178.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.44 -18.6 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.355 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -50.62 -35.02 28.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.852 0.358 . . . . 0.0 111.061 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 20.3 m-85 -75.06 -30.91 61.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.75 -47.29 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.89 -59.99 9.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -77.83 157.48 79.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.691 0.281 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.4 -167.79 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.525 2.15 . . . . 0.0 112.3 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tt -83.78 -33.41 24.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.0 -32.75 61.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -73.06 -45.68 56.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.42 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 13.5 ptp180 -59.73 -44.26 93.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -63.13 -36.14 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -74.35 -32.31 62.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.89 -49.99 75.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.44 -43.58 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.84 -40.54 83.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.37 -37.46 77.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.21 -57.48 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.8 mt -97.34 46.66 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.18 73.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.177 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.08 -34.55 61.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.07 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -75.14 -29.91 60.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.379 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.407 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.0 mt -50.24 -58.24 10.31 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.445 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.407 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.2 Cg_exo -44.78 -32.44 6.09 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.661 2.241 . . . . 0.0 112.521 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -74.98 -31.45 61.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.9 mm -75.05 114.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -65.95 -31.5 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.725 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -154.31 116.79 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -120.29 139.3 52.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -148.11 119.99 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -135.77 147.84 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -113.85 166.09 11.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.418 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 18.4 p -148.24 131.75 16.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -149.36 161.57 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.8 p -84.53 155.26 62.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.54 -48.35 21.87 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.574 2.183 . . . . 0.0 112.248 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -31.0 68.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -73.56 -53.88 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.412 ' CD2' HG21 ' A' ' 67' ' ' VAL . 2.4 t-105 -64.19 -47.71 78.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.6 m -57.82 -30.78 66.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.996 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -85.16 -40.27 16.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -103.23 51.08 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.9 53.55 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.55 78.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.873 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.805 0.336 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.77 89.52 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.06 168.14 25.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.527 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.49 -44.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -105.42 100.71 10.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -85.73 -45.52 11.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -60.26 101.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -120.66 -175.79 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -154.46 -45.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 63.17 -179.29 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 61.05 68.78 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 m -87.83 -62.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 m -122.9 150.94 42.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.76 43.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.31 92.44 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.323 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.91 96.79 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mt -123.31 108.54 12.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 t 63.78 88.79 0.11 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.038 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.03 -28.22 29.0 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.503 2.135 . . . . 0.0 112.246 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -85.2 143.72 28.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.59 28.46 67.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.466 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -174.26 36.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -103.82 35.5 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.04 73.84 0.28 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.543 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.1 -63.87 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.71 28.22 17.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.243 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -30.09 66.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.929 0.395 . . . . 0.0 110.664 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.0 mtm -110.01 -26.74 9.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 63.61 139.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.929 0.395 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mp 58.8 101.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.72 161.01 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.2 78.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -31.54 70.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -60.38 -52.74 63.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.1 mt -69.39 -30.82 68.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -69.54 -57.98 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -59.47 -36.6 76.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -60.21 -60.0 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.54 -31.67 72.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -69.92 -44.21 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -75.44 -41.67 55.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.66 -51.61 69.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.444 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 11.9 mt -85.52 -20.17 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 62.15 41.97 10.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.49 -177.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -96.37 -54.6 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.09 129.46 34.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.12 160.16 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -147.82 127.38 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -122.73 143.84 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -139.17 174.06 10.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -150.03 145.42 26.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.7 p -106.32 35.64 2.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.5 m -132.07 141.46 49.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.9 mt -110.31 -50.19 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -67.39 173.45 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -70.96 81.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -168.79 171.38 8.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -133.57 116.52 16.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.6 m -111.43 -70.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.5 p -121.45 159.23 26.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -149.98 149.58 30.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -130.81 139.45 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.415 HG21 ' CZ ' ' A' ' 97' ' ' PHE . 11.7 m -130.43 132.74 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD11 ' CZ2' ' A' ' 107' ' ' TRP . 0.4 OUTLIER -115.09 137.42 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.82 136.35 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.419 HG23 ' CD2' ' A' ' 107' ' ' TRP . 23.2 t -142.81 119.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.043 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.94 -178.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.11 -15.62 31.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.412 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -52.55 -35.91 54.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 0.0 111.059 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.444 ' CZ ' ' CD1' ' A' ' 43' ' ' LEU . 12.0 m-85 -75.13 -30.35 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.001 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.0 -31.36 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.47 -30.04 76.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.59 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -112.13 154.68 44.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.48 173.01 8.32 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.562 2.174 . . . . 0.0 112.302 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.8 tp -58.43 -43.34 88.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 pp -59.4 -32.87 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -74.97 -37.02 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.422 ' HG2' ' CD1' ' A' ' 71' ' ' PHE . 67.2 mtt180 -59.51 -43.45 93.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -74.85 -49.25 21.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -60.4 -34.12 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.68 -55.61 28.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.2 t -60.42 -32.6 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -70.32 -41.64 73.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -65.16 -34.76 79.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -60.04 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.835 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.8 mt -99.99 38.01 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.6 91.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -75.16 -42.16 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.29 -29.98 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.449 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.412 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -46.49 -58.49 6.6 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.664 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.412 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.7 Cg_exo -44.9 -33.56 7.6 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.644 2.229 . . . . 0.0 112.517 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -74.97 -30.47 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.4 127.97 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -74.89 -34.12 62.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.699 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.09 116.89 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.957 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.415 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 40.0 t80 -120.68 136.31 54.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -138.66 127.78 24.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.75 158.23 40.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -144.67 120.13 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.5 p -108.85 133.77 52.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mt -147.27 164.52 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.1 p -88.84 154.62 50.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.44 -48.98 19.02 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.563 2.175 . . . . 0.0 112.286 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.6 -33.96 72.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -70.47 -42.82 70.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.422 ' CZ2' HD11 ' A' ' 65' ' ' LEU . 1.8 t-105 -73.57 -46.11 49.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 m -58.53 -31.12 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -27.27 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.956 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.85 43.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.1 mtm105 -141.48 36.86 1.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -63.85 136.59 57.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.0 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.837 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.2 mtt . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.746 0.307 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -132.35 -47.93 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.33 162.56 15.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.57 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.9 m -105.35 175.54 5.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -147.14 75.62 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 59.87 106.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -145.37 35.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -69.61 110.03 4.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 60.59 110.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -150.79 34.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -162.3 140.28 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.23 146.89 45.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.2 m -107.92 132.48 53.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.63 -142.47 11.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.546 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -154.55 -66.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -160.57 -74.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.92 126.95 6.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 m -134.96 72.36 68.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.06 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.42 -47.61 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.536 2.158 . . . . 0.0 112.259 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -178.71 -67.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.97 149.68 46.49 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.0 m -164.26 178.0 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.66 163.6 13.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.15 -159.43 35.53 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.543 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 68.25 -68.95 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.63 -161.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.4 m 61.44 19.75 10.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.922 0.392 . . . . 0.0 110.481 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 179.14 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.686 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -92.78 153.17 19.04 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp 60.02 99.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -130.48 163.78 26.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.7 -50.22 71.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -59.95 -30.93 69.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -60.26 -46.49 89.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.0 -31.38 61.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -67.51 -57.47 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.79 -38.09 80.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -60.34 -57.38 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.03 -46.64 80.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -45.45 91.14 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -75.29 -48.05 25.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -59.48 -59.98 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.5 mt -70.94 -23.72 62.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 62.84 82.35 0.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.6 176.39 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -57.03 3.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -128.45 138.91 52.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.0 m -140.17 151.86 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -139.68 122.71 16.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.63 157.07 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.187 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -150.03 158.07 43.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -150.1 138.34 20.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.3 p -97.08 39.79 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.7 t -65.56 115.39 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.1 mt 59.24 29.18 18.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -102.57 -70.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.57 156.64 1.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.9 m 60.66 -169.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.8 153.86 40.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.09 102.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 m -119.95 128.83 53.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -107.4 140.68 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -126.61 120.01 28.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.413 HG21 ' CZ ' ' A' ' 97' ' ' PHE . 6.1 m -118.87 141.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.106 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.415 HD12 ' CH2' ' A' ' 107' ' ' TRP . 1.2 tm? -128.52 140.76 51.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.7 t -138.99 143.31 31.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.217 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.419 HG22 ' CD2' ' A' ' 107' ' ' TRP . 24.3 t -145.19 122.6 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.59 172.52 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.35 -21.16 27.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.354 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.99 -30.61 59.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 2.6 m-85 -74.98 -31.25 61.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.32 -31.22 70.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.35 -32.24 83.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -106.85 157.43 35.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.665 0.269 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.37 -168.76 0.27 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.647 2.231 . . . . 0.0 112.229 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 tt -84.93 -31.29 23.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.07 -33.59 61.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -75.06 -50.75 15.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.41 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 18.7 ptt180 -60.21 -44.01 95.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -61.29 -37.85 84.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -72.44 -31.78 65.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.21 -38.91 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.51 -42.58 78.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -69.18 -40.77 77.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -63.5 -34.02 76.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -60.0 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -104.33 52.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.87 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -75.13 -35.81 61.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.997 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.23 -29.91 60.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.359 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.41 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -49.12 -58.57 8.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.54 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.3 Cg_exo -44.92 -32.66 6.59 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.506 2.137 . . . . 0.0 112.607 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -75.0 -31.61 61.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.2 mm -73.68 117.23 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -64.28 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -155.88 116.99 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.977 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.413 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 25.7 t80 -123.36 139.75 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -143.38 120.03 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -114.59 142.8 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -135.05 126.73 29.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.2 p -119.91 139.12 52.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 mt -148.62 156.52 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 16.0 p -79.33 154.86 76.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.49 -48.96 19.16 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.589 2.193 . . . . 0.0 112.291 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.04 -36.84 75.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -64.44 -48.48 75.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.419 ' CD2' HG22 ' A' ' 67' ' ' VAL . 1.5 t-105 -71.52 -35.82 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.1 m -60.31 -31.38 70.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -31.11 65.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -98.21 35.69 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -119.75 80.14 1.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -106.22 40.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.844 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.81 -37.41 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -110.46 165.34 12.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.519 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.7 p -157.31 -59.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m 60.87 178.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -148.15 -46.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.07 101.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -90.92 -24.58 20.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.96 128.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.73 154.12 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -107.7 166.54 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.2 m -107.43 -36.88 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.3 m 60.51 158.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.97 -67.48 3.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.29 106.28 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 t -131.32 102.29 5.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -88.91 -65.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 p -166.96 62.16 0.65 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.04 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.67 172.87 11.77 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.586 2.191 . . . . 0.0 112.326 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -161.81 80.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.9 -148.54 11.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.537 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.2 m 60.34 103.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.28 -68.52 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.24 87.78 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -164.47 154.39 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.73 28.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.26 -30.3 66.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.672 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 40.4 mtt -110.35 -26.99 9.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.883 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.41 160.54 16.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp 60.01 33.01 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m -93.66 159.11 15.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.02 -50.17 73.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.48 -30.05 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -59.68 -48.81 80.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -74.93 -33.62 61.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.5 ttp85 -69.84 -48.24 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -60.07 -47.38 86.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -59.93 -50.82 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.24 -51.99 57.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -41.36 89.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.052 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -75.35 -44.03 47.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.057 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -67.68 -59.95 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.69 -25.25 65.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 62.0 51.62 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.932 0.396 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.89 179.45 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.15 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -94.62 -51.64 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -137.66 121.6 17.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 m -123.1 161.15 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -149.54 128.33 12.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.0 p -121.02 145.5 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.94 166.06 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -150.01 119.98 7.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.2 p -98.82 78.94 2.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.23 162.58 31.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.5 mt -130.68 -46.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -129.6 -67.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -170.51 91.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -176.79 100.05 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.02 84.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -76.63 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 m 59.95 109.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -116.57 161.24 19.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -145.14 120.16 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.6 m -120.37 141.89 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.215 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.82 152.27 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.759 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.2 t -149.98 119.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.261 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.96 119.94 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.014 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.93 -172.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -98.37 -0.05 44.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.541 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -59.69 -39.77 85.67 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.813 0.34 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 27.8 m-85 -74.98 -30.39 61.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.99 -30.22 70.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.94 -49.78 74.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.577 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -104.16 163.05 18.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.666 0.27 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.5 -175.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.523 2.148 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 tt -78.74 -33.85 46.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.979 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.05 -31.81 61.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.01 -45.84 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 7.8 ptp180 -60.09 -38.07 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -67.12 -36.51 82.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -71.09 -33.23 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -60.16 -45.73 92.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.73 -42.07 94.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.54 -40.57 80.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.31 -32.23 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.05 -60.02 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mt -108.04 44.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.9 92.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -75.06 -36.05 61.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -29.85 60.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.368 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -48.66 -57.83 9.98 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.589 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -44.89 -31.16 5.01 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.668 2.246 . . . . 0.0 112.583 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -75.0 -32.23 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.415 HD11 HG23 ' A' ' 94' ' ' ILE . 24.4 mm -74.29 113.62 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -60.58 -33.69 73.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.736 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -148.18 118.68 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.988 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -123.18 133.65 54.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -140.7 120.0 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -126.94 145.75 50.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -124.87 130.82 53.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.807 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.414 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 72.0 p -121.21 126.27 49.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.1 mt -149.15 172.64 14.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.0 p -92.85 155.59 41.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.97 -50.26 13.83 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.569 2.179 . . . . 0.0 112.308 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.26 -41.59 89.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -59.72 -48.49 81.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -67.69 -44.89 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m -65.85 -31.72 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -27.59 34.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -95.98 39.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -109.17 33.68 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -123.54 80.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.776 0.322 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.04 84.2 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.47 -91.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.526 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -60.28 113.09 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -92.18 79.96 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -108.59 -33.31 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.31 116.91 14.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -106.64 137.61 44.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -149.74 131.26 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -144.68 -47.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.48 161.22 42.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 t -133.69 119.78 19.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 p -139.04 -47.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.08 149.16 19.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.456 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.1 -61.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -156.52 113.78 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tp -123.53 137.93 54.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.5 t -127.78 88.6 52.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.33 170.13 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.14 -63.31 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.99 164.8 49.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.613 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -149.42 156.54 42.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -149.76 84.65 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.82 31.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.525 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -175.35 134.91 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.342 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.37 28.19 1.86 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -30.25 67.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.696 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.6 mtt -110.25 -26.88 9.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.908 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.95 99.93 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -43.94 150.21 0.28 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.55 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.3 m -144.62 145.41 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.8 -46.27 79.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -31.46 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -60.96 -46.05 92.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.4 mt -73.12 -31.14 64.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -67.2 -59.97 2.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.43 -32.92 71.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -65.12 -59.97 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.7 mt -59.39 -31.36 69.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -59.52 -59.21 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -75.2 -39.27 60.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.1 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -59.1 -59.94 4.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -79.96 -18.23 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 63.66 77.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.18 174.53 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -89.78 -51.64 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -135.1 120.13 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.9 m -116.32 152.96 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -143.75 144.28 31.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.56 158.31 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.65 166.92 23.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -150.06 138.01 20.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.825 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.3 p -146.67 82.65 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 m -85.11 138.18 32.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 mt -131.73 31.3 4.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -176.85 -179.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.26 31.89 4.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.7 m -147.96 -55.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.44 162.72 26.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.9 p -157.22 104.87 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.5 m -87.37 152.32 22.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -150.05 144.95 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.13 120.12 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.446 ' CG2' ' CE1' ' A' ' 97' ' ' PHE . 31.4 m -101.56 135.32 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 HD12 ' CH2' ' A' ' 107' ' ' TRP . 2.0 tm? -133.18 139.29 46.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -144.23 141.61 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.229 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.405 HG22 ' CD2' ' A' ' 107' ' ' TRP . 23.3 t -133.65 119.98 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 t -176.29 175.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.64 -22.18 21.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.323 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.34 -33.17 52.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -75.06 -30.06 60.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.2 -37.56 87.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.97 -54.72 35.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.538 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -77.83 157.24 79.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.662 0.268 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.14 -171.17 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.57 2.18 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.3 tt -78.41 -31.22 48.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.96 -31.16 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -44.83 54.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -59.01 -40.45 84.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -74.62 -31.45 62.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -73.95 -40.23 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.05 -44.24 96.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.8 t -67.73 -44.48 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -65.68 -47.48 75.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.35 -31.0 69.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.55 -58.6 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.91 39.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.822 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.79 80.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -75.17 -42.19 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -75.27 -29.94 60.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.429 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.41 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.3 mt -46.42 -58.52 6.49 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.575 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.9 Cg_exo -44.95 -33.61 7.76 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.196 . . . . 0.0 112.546 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -75.02 -30.99 61.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.1 mm -74.42 122.72 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -68.18 -34.91 77.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.69 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -149.17 116.95 6.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.978 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.446 ' CE1' ' CG2' ' A' ' 64' ' ' VAL . 18.7 t80 -121.87 130.79 53.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -121.74 119.98 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -100.12 123.96 44.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -132.77 124.14 27.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.802 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.1 p -126.09 144.39 50.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.0 mt -150.02 163.32 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.6 p -88.71 151.32 47.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.8 -44.36 49.9 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.496 2.131 . . . . 0.0 112.298 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -59.89 -46.05 90.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -60.06 -49.55 77.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.418 ' CH2' HD12 ' A' ' 65' ' ' LEU . 3.4 t-105 -61.44 -50.94 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.8 m -58.03 -54.95 41.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -60.09 -31.74 70.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -142.89 81.21 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.61 36.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -65.04 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.864 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ttm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.75 0.309 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -112.75 -52.76 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.88 31.2 75.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.525 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.53 146.68 34.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.44 84.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 60.31 159.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -136.6 82.66 1.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -168.87 34.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.8 p-80 -112.12 123.4 50.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -145.76 176.06 9.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -125.91 124.97 41.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.57 -169.36 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 m -160.44 -73.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.33 -156.46 26.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.82 156.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 t -112.08 32.12 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -125.56 -177.42 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -147.5 127.5 6.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.23 -29.01 22.27 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.431 2.087 . . . . 0.0 112.356 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -58.7 117.39 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.35 98.44 0.13 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 p -61.53 -170.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -124.89 162.1 25.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.05 -114.35 6.74 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 65.93 -74.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.76 0.314 . . . . 0.0 111.215 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.4 30.82 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.194 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.7 m -58.03 -30.41 66.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.619 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 ttm -109.72 -24.41 10.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.97 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 61.67 160.51 0.06 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp 59.32 77.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -137.64 -179.4 5.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.99 -53.01 9.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -31.57 72.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -60.29 -59.45 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.68 -30.63 70.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -69.74 -60.03 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -60.09 -36.81 78.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -60.09 -42.15 94.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.3 mt -75.06 -49.43 19.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -58.51 -37.9 76.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -75.33 -45.96 36.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.08 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.16 -60.02 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.78 -24.92 67.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.079 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 62.1 46.24 6.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.756 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.31 -176.12 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -97.02 -53.72 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -122.31 146.21 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.7 m -142.62 154.76 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -150.02 130.48 13.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 p -127.71 150.14 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -150.01 174.89 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -149.95 145.29 26.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.76 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.7 p -133.1 37.27 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.6 p -106.26 -77.79 0.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.7 mt 57.93 31.18 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -136.49 172.33 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -103.23 31.45 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.7 p -160.65 31.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -151.84 155.25 37.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 t -158.53 100.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.4 p -153.17 130.92 11.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.419 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 5.5 m-85 -139.37 162.57 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -126.42 120.04 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.79 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.449 ' CG2' ' CZ ' ' A' ' 97' ' ' PHE . 24.8 m -105.79 146.69 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD12 ' CZ2' ' A' ' 107' ' ' TRP . 0.7 OUTLIER -129.61 139.5 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.812 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 t -139.75 145.15 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.232 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.6 t -150.0 119.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.38 168.45 2.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.14 -18.93 52.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.364 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -33.04 62.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.777 0.323 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.418 ' CD1' ' HG2' ' A' ' 79' ' ' ARG . 2.6 m-85 -75.0 -30.53 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -34.56 71.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.65 -29.91 67.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -111.01 154.36 43.47 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.636 0.255 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.32 174.17 5.42 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.629 2.219 . . . . 0.0 112.298 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 tp -59.81 -46.15 90.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -32.71 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.974 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -31.97 61.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.418 ' HG2' ' CD1' ' A' ' 71' ' ' PHE . 31.3 mtt180 -59.77 -59.5 5.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -60.23 -31.35 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -36.15 78.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.87 -49.37 70.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.72 -42.09 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.33 -43.52 94.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.26 -34.36 75.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.13 -59.92 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 mt -100.63 36.61 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.802 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.77 -31.54 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.38 -48.74 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -75.36 -29.93 60.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.625 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -45.06 -58.05 6.22 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.645 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -44.91 -34.62 8.94 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.644 2.23 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -74.93 -30.41 61.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.0 mm -75.33 129.2 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -74.34 -33.96 63.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.732 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.52 116.82 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.987 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.449 ' CZ ' ' CG2' ' A' ' 64' ' ' VAL . 49.9 t80 -123.38 123.32 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -114.68 121.57 43.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.53 142.92 51.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -137.65 128.08 26.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.974 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.416 HG23 ' CE2' ' A' ' 71' ' ' PHE . 24.4 p -117.7 136.75 53.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.857 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.0 mt -145.85 178.26 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.4 p -92.74 155.77 41.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.79 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.82 -36.37 24.0 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.594 2.196 . . . . 0.0 112.268 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.7 -33.28 72.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -74.94 -48.07 26.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.422 ' CZ2' HD12 ' A' ' 65' ' ' LEU . 3.6 t-105 -59.55 -30.92 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 90.3 m -60.0 -27.87 67.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -96.68 25.91 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.69 27.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -140.01 33.61 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -76.06 -31.86 59.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.194 -0.907 . . . . 0.0 110.883 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.842 0.353 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.9 -67.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.0 38.47 5.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -103.38 -60.88 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -60.41 145.28 48.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.408 ' HB3' ' CE1' ' A' ' 8' ' ' HIS . 31.0 m170 -125.92 -44.92 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.8 m170 68.86 -67.61 0.21 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.408 ' CE1' ' HB3' ' A' ' 6' ' ' HIS . 39.2 m170 61.06 157.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -98.6 29.0 3.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -179.03 -169.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.24 -169.39 2.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -128.17 -74.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.9 m -126.68 -44.67 1.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.59 160.85 21.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.61 118.03 21.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.1 m -113.3 -41.46 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.68 90.58 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 m -118.85 149.77 47.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.54 -175.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.514 2.142 . . . . 0.0 112.294 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.11 -71.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.65 -135.19 51.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.571 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 p -131.93 80.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -140.99 141.0 34.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.12 61.86 0.18 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.16 110.54 21.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.08 28.19 4.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.4 p -58.45 -30.14 66.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.64 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 tpp -110.55 -27.5 8.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.831 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -88.3 120.52 29.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -44.15 159.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.491 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -161.85 136.72 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.45 86.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -31.39 69.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -68.13 -47.51 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.47 -36.53 81.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.043 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -70.66 -47.4 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.63 -35.64 81.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -60.0 -60.01 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.45 -30.76 70.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -59.94 -60.18 4.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -75.17 -35.61 61.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.07 -52.81 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.055 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD12 ' CZ ' ' A' ' 71' ' ' PHE . 6.3 mt -93.16 -15.5 25.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.275 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 62.35 60.05 1.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 0.0 110.773 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.57 170.82 12.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.2 -53.83 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -130.2 137.1 49.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.807 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.5 m -141.01 147.3 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -144.19 132.62 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -125.4 155.25 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -146.74 167.73 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -150.0 138.19 20.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 p -94.16 64.01 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.7 m -163.7 162.96 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.0 mt -142.83 -47.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -132.42 43.97 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.7 -168.25 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.5 p -96.57 39.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.417 ' HB1' ' CE2' ' A' ' 62' ' ' PHE . . . 59.54 161.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.105 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.8 m -143.14 -67.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 t -121.34 149.13 43.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.417 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 73.9 m-85 -135.42 155.16 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -138.02 124.62 20.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.409 HG21 ' CE1' ' A' ' 97' ' ' PHE . 29.9 m -110.95 131.68 61.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.414 HD13 ' CZ2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -117.76 135.38 54.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.24 143.06 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.219 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 t -147.52 119.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.07 -170.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.9 -17.35 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.438 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -52.68 -31.48 37.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.882 0.372 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.445 ' CZ ' ' CG2' ' A' ' 101' ' ' THR . 16.2 m-85 -75.0 -31.51 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -31.35 71.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.67 -40.66 99.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -104.02 153.15 39.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.667 0.27 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.84 167.57 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.573 2.182 . . . . 0.0 112.269 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.65 -43.22 94.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.02 -33.6 76.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.95 -30.15 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.419 ' HD3' ' CD1' ' A' ' 71' ' ' PHE . 68.3 mtt180 -59.13 -56.49 21.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -60.1 -34.48 73.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -70.26 -31.22 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.06 -49.94 65.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.7 -35.86 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.96 -38.78 79.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.48 -42.89 98.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -56.78 17.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.4 mt -99.01 40.98 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.88 85.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -75.06 -36.74 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -75.35 -29.91 60.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.497 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.402 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 5.7 mt -48.37 -57.85 9.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.659 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.6 Cg_exo -44.85 -33.28 7.13 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.584 2.189 . . . . 0.0 112.658 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -75.04 -30.8 61.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.0 mm -75.52 122.24 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -74.54 -31.75 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -149.63 120.18 7.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 98' ' ' GLU . 9.1 t80 -131.15 144.43 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.047 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.45 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 3.5 tt0 -130.95 119.95 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.782 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -100.32 126.54 46.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.044 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.91 120.03 26.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.782 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.445 ' CG2' ' CZ ' ' A' ' 71' ' ' PHE . 18.3 p -129.85 129.7 44.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.9 mt -150.07 162.15 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.03 162.58 51.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.55 -42.86 6.44 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.489 2.126 . . . . 0.0 112.23 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -40.09 89.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -68.09 -50.43 55.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.414 ' CZ2' HD13 ' A' ' 65' ' ' LEU . 2.8 t-105 -59.78 -30.8 69.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.0 m -60.09 -33.34 71.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -68.06 -32.82 73.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -117.24 66.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.67 35.78 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -130.39 31.45 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.905 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.738 0.304 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -97.64 -74.57 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.73 -154.79 20.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 m -141.9 125.93 17.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.27 127.44 41.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -125.57 81.06 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.18 146.29 25.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.797 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -106.25 90.42 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -172.84 79.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 60.04 30.6 20.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -129.18 -47.51 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.806 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t -103.42 36.89 2.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.59 93.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.93 -36.6 5.98 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.555 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.14 30.98 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 111.07 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m 60.75 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.68 130.8 32.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.72 91.54 3.55 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.47 111.53 2.56 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.591 2.194 . . . . 0.0 112.307 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -157.17 132.39 9.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.29 -171.36 15.23 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -60.71 86.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.719 0.295 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.28 -69.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.97 71.62 1.31 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.46 -169.14 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.23 21.94 8.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.4 m -63.49 -29.97 71.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.966 0.412 . . . . 0.0 110.66 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.8 mtt -111.9 -25.0 9.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.33 90.13 3.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -43.47 150.1 0.23 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.62 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -130.1 153.76 48.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.68 -52.43 25.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -32.03 71.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -60.75 -54.47 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.32 -41.2 98.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -60.77 -60.1 4.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.13 -35.06 74.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -63.18 -60.02 3.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.16 -35.72 81.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -59.23 -52.24 66.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -75.37 -42.0 55.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -59.54 -51.39 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mt -85.55 -20.92 28.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.07 78.39 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.77 -175.42 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -100.78 -53.91 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -131.33 125.84 33.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 m -124.95 150.07 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.99 126.52 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.4 p -119.95 151.67 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -131.78 159.11 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -150.1 122.36 8.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.761 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.1 p -92.39 -54.06 3.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.8 m 61.42 154.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.5 mt -124.78 -43.93 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -170.2 108.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 64.33 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.44 103.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.8 112.59 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.8 p -112.51 159.68 18.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.8 115.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -134.88 158.06 45.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -130.6 127.45 39.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.416 HG23 ' CE1' ' A' ' 97' ' ' PHE . 30.7 m -112.73 129.07 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.411 HD12 ' CH2' ' A' ' 107' ' ' TRP . 1.2 tm? -125.98 142.89 51.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.1 t -147.44 138.27 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.25 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.408 HG21 ' CD2' ' A' ' 107' ' ' TRP . 25.2 t -132.27 119.98 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.31 -176.91 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.928 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.61 -14.5 16.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.498 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -55.3 -30.86 61.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -75.01 -31.01 61.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.13 -30.89 68.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.39 -49.01 83.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.424 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -99.2 154.33 37.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.829 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.54 173.94 7.08 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.583 2.189 . . . . 0.0 112.27 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 11.4 tp -59.45 -43.96 93.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -31.32 68.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -74.96 -57.54 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.33 -33.87 71.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -70.04 -38.52 75.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -75.0 -31.27 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.07 -55.62 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.71 -34.08 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -72.06 -44.8 62.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.24 -34.64 76.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.002 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.22 -57.72 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.2 mt -98.33 46.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.27 -53.69 53.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.08 -32.03 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.21 -29.89 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.298 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.413 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 5.9 mt -51.2 -58.41 10.64 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.479 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.3 Cg_exo -45.02 -31.85 5.97 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.613 2.209 . . . . 0.0 112.541 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -74.97 -31.92 61.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.9 mm -73.7 109.95 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.216 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -60.81 -32.14 71.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.752 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.72 116.87 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.972 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.416 ' CE1' HG23 ' A' ' 64' ' ' VAL . 23.9 t80 -121.27 136.57 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -138.53 119.92 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.91 149.9 36.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.29 119.91 8.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 p -111.43 127.93 55.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.419 HD12 ' CE3' ' A' ' 107' ' ' TRP . 11.9 mt -141.42 151.74 43.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 p -81.13 155.77 72.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.81 -46.5 33.24 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.575 2.183 . . . . 0.0 112.318 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -31.17 68.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -73.63 -52.67 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.419 ' CE3' HD12 ' A' ' 102' ' ' LEU . 1.8 t-105 -61.53 -44.65 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.3 m -60.21 -30.95 69.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.8 mmm-85 -91.11 -25.36 19.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -96.87 34.99 1.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.58 33.54 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -88.66 169.79 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.874 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 ttm . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.893 0.378 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -106.31 146.07 30.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.97 -116.73 1.62 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.62 170.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.387 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.91 90.77 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -106.58 -31.87 8.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -83.47 -64.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -122.25 172.26 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.45 101.44 11.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -66.05 -176.97 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 68.94 -67.31 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 m -171.15 145.22 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 p -175.87 104.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.98 130.03 1.08 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.581 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.34 107.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.68 -63.31 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.2 tp -106.08 151.2 25.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.7 t -127.57 89.43 51.1 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.68 -27.19 32.39 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.552 2.168 . . . . 0.0 112.33 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -59.31 123.23 16.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.99 132.93 46.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.93 -31.34 11.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 61.32 154.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.02 -179.84 21.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.83 104.99 17.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.33 28.73 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 m -57.89 -30.16 65.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.7 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 54.6 mtt -110.29 -27.45 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.87 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 58.36 76.43 0.34 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -44.13 127.59 5.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.576 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -156.23 153.4 29.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.39 -47.83 80.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -34.72 74.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.87 -58.06 9.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.03 -33.45 73.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.9 ttt-85 -64.24 -60.04 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.36 -32.5 73.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -64.12 -60.01 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.2 mt -59.99 -32.11 70.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -59.34 -60.17 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.08 -31.44 61.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.019 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.9 -55.24 20.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.4 mt -87.54 -18.18 30.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 66.96 87.03 0.13 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.75 177.58 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.05 -57.16 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -127.93 130.95 49.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.7 m -127.78 143.71 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -131.95 127.76 37.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.08 141.83 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -129.18 160.94 31.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -150.08 136.81 19.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.79 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.5 p -81.62 -48.67 11.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.68 -176.14 5.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.1 mt -126.3 -47.68 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -106.98 36.06 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -123.57 158.43 31.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.3 t -63.88 145.47 55.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . . . 60.4 77.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -84.19 90.33 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.11 149.0 24.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -138.98 145.49 39.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -123.96 145.15 49.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.418 HG22 ' CZ ' ' A' ' 97' ' ' PHE . 5.6 m -145.81 124.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.423 HD13 ' CH2' ' A' ' 107' ' ' TRP . 1.9 tm? -112.52 139.47 48.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -137.74 126.3 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.413 HG22 ' CD2' ' A' ' 107' ' ' TRP . 22.9 t -123.62 120.06 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.16 162.42 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.28 -15.75 56.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.459 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -30.0 39.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.832 0.349 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -75.1 -31.34 61.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.41 -35.53 77.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.55 -30.08 73.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -110.65 154.46 43.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.678 0.275 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.02 -174.42 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.622 2.215 . . . . 0.0 112.2 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 80' ' ' HIS . 7.0 tt -74.28 -35.35 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.64 -30.83 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -74.87 -53.62 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -59.04 -36.51 75.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.419 ' CE1' HD22 ' A' ' 76' ' ' LEU . 8.9 m170 -69.18 -36.53 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -74.92 -32.28 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.0 -46.46 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 t -65.1 -46.73 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -65.92 -43.55 87.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.2 -34.48 72.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.23 -59.99 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.13 42.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.37 96.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.207 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -75.12 -38.14 61.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.23 -29.88 60.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.443 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.409 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -48.17 -58.42 8.04 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.462 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.6 Cg_exo -44.82 -33.31 7.12 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.562 2.175 . . . . 0.0 112.522 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -75.05 -31.41 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.2 mm -74.08 118.32 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.409 ' CD2' ' HA ' ' A' ' 59' ' ' ALA . 6.9 t60 -66.44 -31.85 72.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.719 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.01 118.07 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.418 ' CZ ' HG22 ' A' ' 64' ' ' VAL . 44.6 t80 -125.03 144.9 50.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.062 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -146.87 120.06 8.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -108.81 150.95 26.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -141.39 119.99 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.736 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 74.2 p -113.48 135.96 53.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.3 mt -149.97 148.58 29.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.3 p -79.91 149.86 71.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.49 -42.08 63.71 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.557 2.171 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.94 -31.51 69.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -74.99 -52.89 9.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.423 ' CH2' HD13 ' A' ' 65' ' ' LEU . 2.2 t-105 -59.8 -35.61 75.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 68.5 m -60.09 -32.39 70.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -90.4 -29.46 18.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.31 -11.69 61.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ptt85 -115.89 36.84 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -60.07 165.62 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.007 179.897 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 ttm . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.761 0.315 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -121.29 152.36 39.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.02 119.61 1.4 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.2 -59.21 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -168.24 120.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -111.9 80.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -83.25 -33.46 26.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 t60 60.28 98.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -160.74 97.47 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.82 -171.74 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.34 -49.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.72 36.08 19.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -131.32 137.25 48.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.68 -106.6 0.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.29 34.29 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 111.075 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.1 p -154.55 -46.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -118.88 142.78 47.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.3 m -130.07 150.04 74.88 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.96 -168.08 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.592 2.194 . . . . 0.0 112.337 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -71.97 86.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.89 -177.58 40.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.544 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.3 t -102.69 -67.77 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -135.14 31.12 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.75 131.7 7.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.425 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.37 -57.11 4.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.93 -162.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.2 m 61.4 19.49 10.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.875 0.369 . . . . 0.0 110.505 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.38 -32.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.676 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -117.01 151.39 36.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.1 mp 60.1 109.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -124.09 164.79 18.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.55 -57.86 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -30.57 70.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -59.64 -54.15 49.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.6 mt -69.29 -31.34 69.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -70.72 -51.72 25.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -63.3 -35.76 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -60.06 -59.97 4.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.64 -30.78 71.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -59.74 -54.69 43.33 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -29.94 60.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.123 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.47 -52.89 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 HD11 ' CZ ' ' A' ' 71' ' ' PHE . 62.3 mt -99.26 -11.77 20.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.35 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 61.8 65.18 0.94 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.906 0.384 . . . . 0.0 110.82 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.81 168.9 15.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -85.99 -60.44 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -124.89 131.29 53.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.7 m -137.17 143.67 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -137.98 128.54 26.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -116.3 147.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -138.78 161.82 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -150.0 146.32 26.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 p -91.38 -59.34 2.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.36 165.77 26.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.2 mt -129.17 -45.65 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -88.07 54.78 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -149.17 165.77 30.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.0 m -65.02 -46.72 80.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.4 107.13 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.418 HG23 ' CE2' ' A' ' 62' ' ' PHE . 68.2 m -109.35 109.9 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.27 153.1 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CE2' HG23 ' A' ' 60' ' ' THR . 36.1 m-85 -143.31 153.7 43.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -137.13 132.66 34.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.418 HG23 ' CE1' ' A' ' 97' ' ' PHE . 6.3 m -129.89 130.87 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.413 HD12 ' CZ2' ' A' ' 107' ' ' TRP . 0.8 OUTLIER -120.6 134.63 55.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.726 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.75 142.7 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.41 HG23 ' CD2' ' A' ' 107' ' ' TRP . 24.8 t -146.87 120.02 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.983 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.52 177.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.985 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.81 -18.15 31.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.361 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -52.91 -31.91 42.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.868 0.366 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 11.9 m-85 -75.03 -31.71 61.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.37 -31.08 69.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.64 -35.2 88.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -113.38 159.11 36.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.299 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.22 -167.48 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.574 2.182 . . . . 0.0 112.298 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.8 tp -80.84 -30.76 35.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -32.93 61.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -75.03 -47.68 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.422 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 17.0 ptp180 -58.53 -45.92 87.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -65.14 -35.45 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -70.1 -41.87 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.07 -31.67 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.4 -58.51 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -33.75 76.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.12 -37.93 72.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -56.55 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mt -101.21 41.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.55 89.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -75.12 -39.19 60.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -29.95 60.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.394 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.405 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -47.22 -58.33 7.49 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.572 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.405 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.8 Cg_exo -44.95 -32.77 6.77 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.64 2.227 . . . . 0.0 112.595 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -75.03 -31.22 61.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.418 HD12 ' CD2' ' A' ' 62' ' ' PHE . 23.5 mm -74.3 118.26 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -66.01 -31.68 72.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -153.39 117.25 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.418 ' CE1' HG23 ' A' ' 64' ' ' VAL . 18.3 t80 -125.2 140.7 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.98 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -127.33 125.57 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.763 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -117.82 120.96 39.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -129.59 119.97 24.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.806 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.419 HG22 ' CZ ' ' A' ' 71' ' ' PHE . 22.1 p -123.28 141.63 51.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.0 mt -149.93 171.51 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.0 p -91.25 150.67 41.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.94 -45.51 40.46 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.549 2.166 . . . . 0.0 112.276 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.93 -46.35 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.15 -52.35 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.413 ' CZ2' HD12 ' A' ' 65' ' ' LEU . 1.6 t-105 -60.97 -47.05 88.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.2 m -64.42 -38.39 90.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -77.49 -28.53 52.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -68.7 -12.88 61.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.408 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -125.11 64.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 57.59 168.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.881 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.874 0.368 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -60.34 -74.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.45 97.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.35 -47.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 m -80.09 147.34 31.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.36 171.71 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -74.77 86.15 2.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -129.78 31.25 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -176.74 140.21 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -133.84 116.74 16.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -99.01 31.45 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -109.53 -66.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -176.53 -43.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.42 -130.9 10.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.88 -37.24 16.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.364 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.37 161.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 mt -84.87 135.54 34.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t 59.72 80.41 0.27 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.38 -45.76 1.16 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.572 2.181 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 60.16 176.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.79 -143.7 9.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.455 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -60.34 -175.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.8 -66.31 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.18 -59.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.96 91.56 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.076 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.46 27.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -31.12 69.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -110.04 -24.07 10.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.958 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 64.2 132.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -43.83 155.08 0.08 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.642 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.9 m -127.54 149.34 50.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.04 -35.41 78.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.98 -31.3 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -60.08 -50.69 72.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.6 mt -71.38 -30.95 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -69.51 -52.65 24.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.61 -31.23 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -68.37 -60.02 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.28 -44.42 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -58.1 -46.05 86.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -75.31 -40.44 58.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.89 -60.0 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.39 -22.84 61.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.21 72.52 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.739 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.98 169.68 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -78.16 -59.94 2.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -135.1 130.03 34.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.2 m -125.9 147.93 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -137.07 119.98 16.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.7 p -107.97 155.85 8.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -135.55 162.82 31.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -150.0 136.8 19.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.5 p -121.26 81.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 t -70.31 84.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mt 60.82 31.35 20.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -94.03 -44.18 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -166.23 136.21 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 55.6 m 60.08 36.73 21.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.47 -170.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.052 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.1 p -70.49 108.82 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.7 p -130.09 163.17 27.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -138.76 125.88 21.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -109.72 120.02 41.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.6 m -110.48 129.97 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.203 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.41 HD12 ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -120.29 138.82 53.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.0 t -140.78 128.67 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.2 t -128.13 119.98 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.61 -176.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.01 -20.2 16.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.384 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -30.94 56.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.985 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.415 ' CE2' HG22 ' A' ' 101' ' ' THR . 2.7 m-85 -75.06 -30.74 61.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -34.1 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.1 -30.02 76.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -100.47 155.39 36.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.705 0.288 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.4 163.93 30.37 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.62 2.213 . . . . 0.0 112.237 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.01 -30.84 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -31.46 61.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -75.02 -31.02 61.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.9 mtm-85 -59.8 -58.09 10.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -62.15 -45.99 90.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -60.51 -33.5 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.1 mt -60.71 -42.04 96.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.5 t -75.05 -33.14 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -71.38 -38.38 71.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.27 -43.67 98.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.977 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -59.37 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.4 mt -97.78 38.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.27 76.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.12 -34.14 61.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.29 -29.89 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.309 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.406 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.1 mt -49.71 -58.07 10.34 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.559 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.1 Cg_exo -44.95 -31.58 5.53 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.56 2.173 . . . . 0.0 112.655 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -75.01 -31.62 61.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.479 HD13 HG23 ' A' ' 94' ' ' ILE . 23.2 mm -74.67 116.43 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.16 -34.36 73.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.77 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 116.89 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.952 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -120.91 143.06 49.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.977 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.53 119.95 13.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.814 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -118.3 144.8 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.32 119.95 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.415 HG22 ' CE2' ' A' ' 71' ' ' PHE . 21.2 p -112.92 137.1 51.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.7 mt -149.92 173.34 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.9 p -93.01 154.34 41.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.54 -29.97 52.35 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.57 2.18 . . . . 0.0 112.212 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.45 -36.23 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -75.13 -45.98 37.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.41 ' CH2' HD12 ' A' ' 65' ' ' LEU . 2.3 t-105 -61.11 -52.41 65.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.9 m -60.04 -29.3 68.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -87.25 -25.51 23.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -66.63 -14.42 62.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.413 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -110.51 33.5 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -103.2 119.49 38.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -39.68 8.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.981 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -105.17 163.74 14.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.59 -50.17 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.763 0.316 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -100.43 82.18 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -147.21 160.7 42.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -162.36 119.12 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -97.72 178.04 5.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.5 m170 60.3 95.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -98.87 35.8 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -126.62 35.26 4.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.29 -32.13 13.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -64.65 162.19 16.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.71 39.6 2.16 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.577 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.95 112.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -127.89 36.31 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tp 60.81 35.4 19.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p -176.26 136.42 0.46 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 143.98 49.79 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.432 2.088 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -136.83 -67.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.24 28.15 7.73 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m 61.76 152.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.01 -31.43 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.59 79.24 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.84 140.3 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 111.067 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.18 27.91 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.212 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -30.9 67.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.987 0.422 . . . . 0.0 110.746 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.28 -26.33 9.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -95.18 78.43 3.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mp -43.5 125.92 4.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.587 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -130.26 156.67 44.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.06 97.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -31.3 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -62.09 -51.15 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.73 -31.31 70.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -73.96 -51.09 17.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.14 -41.08 91.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -60.3 -53.21 60.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.39 -42.71 99.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -59.89 -46.45 89.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -75.26 -46.7 31.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.44 -48.87 79.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.42 HD22 ' CZ ' ' A' ' 71' ' ' PHE . 13.1 mt -83.58 -24.74 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 64.83 47.27 2.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.23 -175.8 4.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.049 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -96.32 -53.46 3.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -135.51 132.59 37.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.0 m -129.35 152.34 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -140.46 125.46 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 p -114.0 157.38 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -138.25 164.81 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -150.0 131.78 15.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.818 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.4 p -97.2 -73.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.0 m 61.8 115.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.8 mt -59.83 -48.27 82.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -137.99 -74.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -120.65 -60.14 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 62.9 m -60.39 135.42 57.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . . . -62.37 161.5 11.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.9 p -142.92 -64.66 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 76.5 p -122.45 160.36 25.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 59' ' ' ALA . 57.2 m-85 -149.99 131.4 14.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -103.2 135.9 43.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -131.32 133.15 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD22 ' CH2' ' A' ' 107' ' ' TRP . 3.1 tm? -131.2 137.75 49.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.79 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.4 t -131.63 135.1 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -130.58 122.44 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 t -175.12 -179.74 1.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.016 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.12 -18.73 17.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.361 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -29.96 59.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.827 0.346 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CZ ' HD22 ' A' ' 43' ' ' LEU . 50.0 m-85 -75.13 -30.85 60.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.42 -31.25 69.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.27 -29.94 73.4 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.568 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -104.63 154.29 38.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.67 0.271 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.9 160.48 33.26 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.571 2.181 . . . . 0.0 112.227 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.83 -36.63 72.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -33.63 76.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -75.0 -30.09 61.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -58.95 -56.93 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -63.99 -44.68 91.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -59.68 -39.16 83.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mt -60.52 -46.64 89.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.46 -40.14 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.171 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -65.53 -31.19 72.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -66.76 -37.36 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.23 -60.09 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 mt -102.85 44.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.71 -48.77 75.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -75.04 -34.33 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.145 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -75.19 -30.0 60.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.37 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.402 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -50.2 -58.0 11.04 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.501 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.9 Cg_exo -45.02 -32.24 6.37 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.527 2.152 . . . . 0.0 112.544 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -75.06 -31.89 61.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.424 HG21 HD11 ' A' ' 94' ' ' ILE . 22.1 mm -74.58 116.73 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -60.56 -33.83 73.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.974 0.416 . . . . 0.0 110.641 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.71 116.5 5.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.862 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -122.25 142.53 50.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.053 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -143.35 119.92 11.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.36 149.75 44.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.02 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -142.73 145.3 33.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.0 p -124.31 133.34 53.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 mt -149.84 159.87 44.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.753 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.52 161.25 65.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.4 -40.87 5.31 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.53 2.154 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -60.28 -34.81 74.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -74.73 -51.02 15.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.419 ' CH2' HD22 ' A' ' 65' ' ' LEU . 3.1 t-105 -60.37 -50.67 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.0 m -58.55 -30.35 67.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -82.36 -31.24 29.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.5 41.69 1.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.37 64.32 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.86 31.94 21.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.872 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.864 0.364 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.98 -57.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -104.88 65.55 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.528 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.31 -65.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -69.14 144.11 53.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 60.42 97.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.99 36.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -130.0 36.92 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -67.58 -47.34 70.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -91.43 130.31 37.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -109.66 -30.48 7.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.76 114.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m 61.23 155.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.43 27.5 2.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.548 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.52 -178.09 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 t -174.01 153.9 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.23 94.03 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.47 91.51 40.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.68 166.05 27.38 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.549 2.166 . . . . 0.0 112.282 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -111.55 173.46 6.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.16 -44.22 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -84.22 80.69 9.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.31 37.17 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.13 157.44 11.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.69 -179.08 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 111.081 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.15 28.12 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -30.7 67.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.637 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.6 mtp -110.22 -27.05 9.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -82.67 156.85 23.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -43.85 156.67 0.06 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.491 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.62 147.13 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.84 -42.56 85.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.175 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -30.64 70.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -59.34 -55.73 31.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.2 mt -64.87 -31.54 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -66.92 -58.7 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -59.1 -31.03 68.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -60.55 -59.32 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.49 -31.43 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -55.86 28.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -32.8 61.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.08 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.16 -53.76 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mt -89.33 -16.72 30.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 63.17 77.98 0.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.908 0.385 . . . . 0.0 110.779 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.11 174.04 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.074 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -86.57 -58.39 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -132.16 127.43 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.3 m -128.91 143.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.07 144.52 51.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.7 p -126.23 156.03 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.37 172.77 12.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -150.08 129.58 13.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.769 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.8 p -144.82 102.58 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.9 t -144.81 168.61 19.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -130.24 17.16 5.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 t30 55.33 101.5 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.744 0.306 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -164.54 -76.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -109.31 -66.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -129.14 -175.79 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.416 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 1.6 m -122.35 142.8 50.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.1 m -108.27 150.68 26.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CZ ' HG21 ' A' ' 60' ' ' THR . 99.4 m-85 -150.01 152.2 34.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -118.76 127.05 53.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.438 ' CG2' ' CZ ' ' A' ' 97' ' ' PHE . 31.3 m -103.7 137.7 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.343 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.416 HD11 ' CH2' ' A' ' 107' ' ' TRP . 2.8 tm? -132.62 132.64 42.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.745 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -138.2 144.29 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.416 HG21 ' CD2' ' A' ' 107' ' ' TRP . 24.8 t -135.43 119.9 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.029 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.79 -175.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -96.92 0.62 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.529 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -59.46 -42.17 91.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 41.1 m-85 -75.01 -30.74 61.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.54 -45.23 92.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.37 93.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -90.49 156.7 45.3 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.813 0.339 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 179.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.571 2.181 . . . . 0.0 112.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -44.23 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.1 -30.95 61.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -62.38 -48.71 78.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.422 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 5.5 ptp180 -59.51 -38.98 82.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -70.29 -39.95 74.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -73.22 -32.52 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 mt -59.29 -44.82 92.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.7 t -64.52 -45.59 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -65.61 -39.08 91.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.9 -36.6 77.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.1 t -61.23 -56.82 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 mt -97.34 39.67 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.88 95.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.214 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.14 -37.83 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.27 -29.91 60.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.431 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.406 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -48.5 -58.11 9.1 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.603 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.0 Cg_exo -44.94 -32.96 6.94 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.569 2.18 . . . . 0.0 112.589 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -75.01 -30.87 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.43 127.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -67.72 -37.03 81.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.399 . . . . 0.0 110.612 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.32 117.11 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.438 ' CZ ' ' CG2' ' A' ' 64' ' ' VAL . 33.1 t80 -121.02 135.24 55.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.017 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -124.07 136.03 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.801 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -119.36 121.39 39.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -133.84 120.98 21.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.42 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 20.1 p -119.04 148.95 42.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.8 mt -150.07 152.53 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 73.0 p -77.67 152.78 80.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.38 -45.28 40.7 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.528 2.152 . . . . 0.0 112.313 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.93 -40.65 89.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -61.71 -52.34 64.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.416 ' CD2' HG21 ' A' ' 67' ' ' VAL . 1.5 t-105 -63.13 -49.42 74.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 m -58.96 -31.87 69.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -71.6 -31.72 67.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -106.96 52.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -97.55 41.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 62.56 80.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.855 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 mmm . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.815 0.34 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.3 36.62 20.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -177.64 -47.22 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.1 t -137.21 141.45 42.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -151.43 127.12 10.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -127.66 32.64 4.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.45 ' CE1' ' CE1' ' A' ' 9' ' ' HIS . 3.9 t-80 -154.38 135.33 13.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -97.67 110.33 22.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.45 ' CE1' ' CE1' ' A' ' 7' ' ' HIS . 4.0 m170 -141.43 151.94 43.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -164.82 156.06 14.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -105.88 -45.49 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.68 79.81 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.811 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.73 -45.5 1.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.41 -167.78 39.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.46 -30.92 7.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.902 0.382 . . . . 0.0 111.185 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.22 -169.6 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tp 60.74 28.26 18.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.489 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 4.2 t -84.88 -46.21 0.67 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.435 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 18' ' ' VAL . 51.2 Cg_exo -54.08 105.52 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.28 1.987 . . . . 0.0 112.327 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -122.35 115.84 23.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.49 93.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -106.9 176.29 5.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 60.57 80.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.19 67.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.59 127.23 31.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.2 28.64 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.74 -30.6 71.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.705 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.8 mtp -112.92 -18.77 12.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.246 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 49.04 95.18 0.01 OUTLIER 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.889 0.376 . . . . 0.0 111.267 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp 61.34 152.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 t -176.66 158.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.68 88.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -31.84 73.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -67.27 -55.49 13.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.4 mt -64.84 -30.86 71.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -69.36 -60.03 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -59.89 -31.16 69.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -64.73 -60.12 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.7 mt -58.91 -31.52 68.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -60.87 -60.07 4.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -75.19 -39.66 59.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.058 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -59.01 -52.93 63.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 mt -87.44 -18.92 28.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 64.37 79.85 0.25 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.836 0.35 . . . . 0.0 110.829 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.57 161.57 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.47 -44.98 41.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -148.16 138.95 23.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.9 m -136.12 156.51 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -140.0 120.05 13.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.817 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -107.1 148.01 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.14 158.98 43.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -150.01 119.99 7.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.791 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.9 p -72.76 -30.53 64.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.27 -69.76 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.9 mt 68.99 -66.15 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 t30 63.16 36.48 12.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -120.28 -51.35 2.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 28.0 p -176.88 37.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -175.35 166.96 3.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 p -146.19 109.5 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -108.09 160.88 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -149.99 164.04 36.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -143.25 133.35 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.418 HG11 ' CZ ' ' A' ' 97' ' ' PHE . 31.0 m -124.24 130.83 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 HD13 ' CH2' ' A' ' 107' ' ' TRP . 2.1 tm? -123.49 138.38 54.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.01 137.78 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.423 HG21 ' CD2' ' A' ' 107' ' ' TRP . 22.8 t -137.29 120.0 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.42 175.28 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.039 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.02 -21.44 21.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.332 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -30.24 52.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -75.09 -30.73 60.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.47 -39.38 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.08 -52.25 53.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -74.37 155.64 87.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.64 0.257 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.72 167.21 21.75 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.584 2.189 . . . . 0.0 112.219 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.8 tp -59.21 -42.33 90.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -31.07 71.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -74.83 -35.75 62.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -60.29 -53.49 57.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -64.86 -36.22 83.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -73.73 -32.06 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.17 -40.42 89.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.7 t -74.94 -35.43 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -72.33 -45.89 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -61.07 -34.36 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.9 t -60.29 -57.81 11.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.8 mt -103.62 47.62 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.784 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.58 94.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.215 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.16 -38.57 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.043 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -75.23 -29.95 60.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.453 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.413 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 5.6 mt -47.79 -58.51 7.52 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.533 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.9 Cg_exo -44.88 -33.26 7.19 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.583 2.188 . . . . 0.0 112.589 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -74.89 -31.64 61.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 26.6 mm -73.62 110.54 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -60.44 -33.2 72.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.732 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -149.44 116.63 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.907 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.418 ' CZ ' HG11 ' A' ' 64' ' ' VAL . 26.5 t80 -116.2 137.2 52.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -132.14 120.0 21.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.773 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.84 148.4 42.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 119.98 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.7 p -105.12 140.92 37.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.993 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 mt -150.01 156.89 42.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.0 p -87.24 153.73 54.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.6 -45.79 37.79 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.605 2.203 . . . . 0.0 112.318 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.94 -31.99 70.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -72.11 -43.31 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.423 ' CD2' HG21 ' A' ' 67' ' ' VAL . 2.2 t-105 -75.0 -43.01 56.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.037 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.2 m -57.65 -54.22 49.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -31.14 71.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.62 31.27 2.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.81 33.3 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.06 102.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.928 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 mmt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.77 0.319 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.79 31.04 20.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.97 -40.46 0.45 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 m -64.0 169.34 4.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -92.65 166.09 12.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -175.64 -57.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -86.65 139.77 30.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -125.07 87.9 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -114.86 82.76 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -99.12 35.41 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -60.25 -57.51 12.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 p -113.28 32.77 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -147.05 31.22 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.93 91.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.564 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.38 -48.92 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.9 p -76.36 79.48 3.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -149.48 29.37 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.485 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 5.5 t -84.61 -46.02 0.7 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.483 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 18' ' ' VAL . 62.3 Cg_exo -51.51 -61.4 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.268 1.978 . . . . 0.0 112.354 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.81 121.71 22.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.89 88.25 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.85 141.63 29.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.726 0.298 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -87.57 163.33 16.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.78 -173.84 18.77 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.432 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.29 -45.79 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 111.093 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.43 29.13 5.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -30.66 68.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.586 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 ttt -110.23 -26.68 9.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.932 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -60.6 102.77 0.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mp 59.93 109.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.27 165.57 23.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.6 93.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.23 -32.04 73.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -60.62 -53.48 57.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.9 mt -71.14 -30.57 66.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -67.38 -59.96 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.91 -31.98 71.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -67.38 -55.77 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.12 -43.88 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -58.78 -48.53 80.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -75.24 -45.86 37.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.51 -60.01 4.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.2 mt -72.52 -24.2 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 64.4 76.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.15 174.92 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -88.71 -57.85 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -131.26 131.0 43.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.62 162.32 39.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.03 120.01 7.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 p -107.23 156.02 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -143.33 159.98 41.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -150.11 138.58 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.764 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.7 p -106.07 75.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.795 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m 60.24 159.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.1 mt -125.64 65.74 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -108.67 -173.45 2.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.9 mmm-85 -100.21 36.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 64.2 m -126.82 -49.17 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -145.73 144.82 30.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 t -148.51 104.64 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.99 126.63 43.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -114.48 144.48 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -133.28 121.59 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.778 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.417 HG23 ' CE1' ' A' ' 97' ' ' PHE . 29.8 m -119.33 139.7 45.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.415 HD12 ' CH2' ' A' ' 107' ' ' TRP . 0.4 OUTLIER -120.59 136.03 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.1 t -133.95 137.31 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.212 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.0 t -141.92 119.91 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.22 177.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.81 -18.13 24.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.399 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -32.39 57.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.841 0.353 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -75.07 -30.86 61.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.01 -32.02 70.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.71 96.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.425 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -91.45 160.14 37.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.659 0.266 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.55 167.85 17.94 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.541 2.161 . . . . 0.0 112.241 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.18 -45.91 89.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.03 -30.96 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -75.07 -30.38 60.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -59.07 -57.79 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -62.68 -37.2 85.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -31.28 70.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mt -62.15 -49.14 77.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 t -62.0 -32.43 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -71.82 -40.89 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.75 -33.34 75.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.19 -59.99 4.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mt -108.14 45.68 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.69 -31.41 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -75.25 -49.05 20.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -75.3 -29.73 60.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.345 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.464 ' N ' ' HD2' ' A' ' 92' ' ' PRO . 5.7 mt -44.77 -60.2 3.3 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 91' ' ' LEU . 7.9 Cg_endo -50.67 -29.86 26.93 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.424 2.083 . . . . 0.0 112.282 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -74.13 -29.96 62.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.79 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.6 mm -71.25 118.04 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -65.05 -31.33 72.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -155.09 116.73 4.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.0 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 98' ' ' GLU . 8.3 t80 -126.12 146.32 49.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.994 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.424 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 0.4 OUTLIER -139.87 120.02 13.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.777 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.3 136.4 53.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -130.04 119.99 24.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.819 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.1 p -115.15 134.32 55.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.7 mt -149.97 167.37 26.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 81.5 p -87.13 154.82 55.03 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.23 -30.83 54.52 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.52 2.147 . . . . 0.0 112.187 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.42 -34.79 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -74.95 -49.04 21.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.415 ' CH2' HD12 ' A' ' 65' ' ' LEU . 2.0 t-105 -59.54 -43.53 93.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.2 m -59.67 -30.69 68.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -71.98 -30.98 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.03 38.5 3.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.69 33.46 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -109.36 129.65 55.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.913 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.6 mtt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.783 0.325 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.85 32.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.91 125.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.537 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 p -101.26 177.51 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.336 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -103.14 79.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -99.17 31.5 3.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.06 149.39 45.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -128.81 153.38 47.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 60.34 92.19 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -100.8 -67.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -152.9 79.75 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.0 m -106.2 -32.48 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 p -107.75 136.16 47.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.21 -132.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.542 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.85 36.96 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.086 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.14 -53.97 50.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mt 60.27 35.82 20.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.59 88.34 50.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -51.98 145.34 33.37 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.621 2.214 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.32 -58.93 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 151.6 -162.37 29.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.9 m -151.1 -53.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.59 101.65 11.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.31 91.89 0.65 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -160.96 174.03 14.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.736 0.303 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.17 -162.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.0 m 61.26 19.49 10.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.96 0.41 . . . . 0.0 110.506 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttt 178.57 -33.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.778 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.99 104.57 0.31 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -43.73 141.52 1.51 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.515 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -154.03 155.31 35.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.5 -56.8 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.93 -31.42 69.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.24 -58.0 10.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.8 -31.08 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -71.29 -59.17 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.74 -30.83 69.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -69.96 -60.04 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -61.07 -38.31 85.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -58.13 -51.42 69.79 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -75.33 -40.6 58.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.27 -60.04 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mt -76.82 -20.91 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 64.07 80.05 0.24 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.55 168.62 9.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.66 -56.4 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -132.25 132.28 42.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.9 m -126.67 145.77 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -139.35 120.02 14.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.813 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.2 p -107.63 150.84 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -132.9 162.91 30.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -150.04 140.47 22.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.794 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.6 p -121.71 83.67 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -176.7 143.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 mt -85.69 -33.0 21.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -107.41 -177.19 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 -99.1 78.46 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.7 m -129.72 42.27 3.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.4 ' O ' ' CE2' ' A' ' 62' ' ' PHE . . . 64.16 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.15 -170.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -74.2 163.8 27.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' A' ' 59' ' ' ALA . 36.5 m-85 -150.03 151.11 32.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 ttp85 -123.91 128.99 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.421 HG22 ' CE1' ' A' ' 97' ' ' PHE . 13.3 m -120.42 130.09 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.421 HD12 ' CH2' ' A' ' 107' ' ' TRP . 0.7 OUTLIER -122.88 139.42 54.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.16 132.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.42 HG21 ' CD2' ' A' ' 107' ' ' TRP . 22.1 t -132.3 119.99 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.005 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.92 172.68 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.83 -19.63 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.285 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.61 -31.04 56.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.058 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 2.7 m-85 -74.96 -31.18 61.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -41.28 93.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.04 -30.08 66.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -104.0 155.38 37.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.701 0.286 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.49 -173.0 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.539 2.159 . . . . 0.0 112.261 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tt -79.3 -31.78 43.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -31.56 61.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.01 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -72.71 -48.85 35.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.412 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 4.3 ptp180 -59.64 -38.7 82.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -69.97 -50.04 45.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -64.6 -31.11 72.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.2 -51.03 71.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.4 t -62.43 -36.2 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.33 -40.01 74.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -60.3 -38.18 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.14 -58.43 8.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -103.82 54.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.62 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.192 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -75.04 -33.39 61.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.019 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -29.9 60.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.345 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.409 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.1 mt -50.27 -58.5 9.51 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.492 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.1 Cg_exo -45.0 -32.14 6.2 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.566 2.177 . . . . 0.0 112.607 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -74.99 -31.75 61.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.7 mm -73.76 112.33 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -60.22 -36.41 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.718 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.4 116.69 5.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.421 ' CE1' HG22 ' A' ' 64' ' ' VAL . 24.3 t80 -115.71 144.44 43.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -145.16 120.02 9.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.09 154.84 34.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.64 124.58 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.0 p -113.98 136.05 53.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.2 mt -146.1 160.37 42.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.8 p -82.34 148.59 59.67 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.5 -43.1 57.25 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.577 2.185 . . . . 0.0 112.266 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.7 -45.38 92.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -60.29 -49.9 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.421 ' CH2' HD12 ' A' ' 65' ' ' LEU . 1.6 t-105 -62.67 -30.02 71.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.0 m -58.0 -31.5 67.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.5 mmm-85 -63.74 -31.5 72.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -132.93 79.67 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -96.57 41.02 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -62.41 108.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.899 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.847 0.356 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -74.23 118.01 16.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.29 138.03 4.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.539 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.42 93.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.9 163.25 40.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.15 158.68 34.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -147.03 33.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -74.93 -68.91 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -167.89 179.48 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -152.53 111.06 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.3 m170 60.52 164.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.37 -48.26 4.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.6 p -154.7 124.15 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.43 125.0 7.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.561 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.18 125.01 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 76.7 p -128.85 173.1 10.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mt -109.41 -30.56 7.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -103.95 90.97 3.28 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.5 160.28 49.93 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.549 2.166 . . . . 0.0 112.231 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.8 87.82 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.61 130.01 5.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -128.54 31.75 4.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -131.27 -51.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.1 170.81 46.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -162.49 135.92 6.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.795 0.331 . . . . 0.0 111.153 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.4 -23.36 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.297 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.7 t -48.39 -34.07 10.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.03 0.443 . . . . 0.0 110.717 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.0 mtp -104.62 -23.93 13.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.914 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.83 119.95 20.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.823 0.344 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp 59.91 105.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m -135.33 158.38 44.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.99 -55.57 33.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.48 -30.0 70.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.025 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -58.92 -49.51 77.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.1 mt -71.39 -31.21 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -67.58 -56.29 10.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.28 -31.19 70.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.026 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -59.82 -59.96 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.2 -30.04 70.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -58.98 5.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.331 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.23 -29.97 60.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.189 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.92 -49.51 75.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.03 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 HD13 ' CZ ' ' A' ' 71' ' ' PHE . 4.8 mt -114.13 9.5 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.424 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 52.5 95.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.768 0.318 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.15 154.33 29.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -81.94 -41.36 20.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -146.71 127.0 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.3 m -128.74 155.41 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.06 133.06 16.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.7 p -110.72 158.37 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -136.09 163.21 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.006 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -148.7 121.15 8.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.716 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.3 p -59.07 -42.25 89.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 t -177.41 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HG ' ' CZ ' ' A' ' 62' ' ' PHE . 0.7 OUTLIER 70.97 124.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.056 0.455 . . . . 0.0 110.937 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -137.19 -169.55 2.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -95.0 -34.63 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 69.1 m -88.32 -45.76 9.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.62 169.01 9.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.9 p -157.07 169.73 24.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.25 136.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.417 ' CZ ' ' HG ' ' A' ' 55' ' ' LEU . 87.6 m-85 -150.09 149.59 30.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -123.51 119.97 31.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.613 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.17 124.77 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.278 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD11 ' CH2' ' A' ' 107' ' ' TRP . 2.4 tm? -116.44 138.0 51.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.737 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -144.99 136.89 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.263 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.413 HG23 ' CD2' ' A' ' 107' ' ' TRP . 22.6 t -127.14 119.97 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.002 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -176.97 178.14 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -92.14 -17.5 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.44 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -33.19 26.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.785 0.326 . . . . 0.0 111.103 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.416 ' CE1' HG23 ' A' ' 101' ' ' THR . 40.7 m-85 -75.06 -31.15 61.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.97 -30.83 71.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.51 -49.46 37.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -85.61 148.04 48.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.679 0.276 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.63 -169.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.55 2.166 . . . . 0.0 112.332 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 tt -83.01 -37.41 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.04 -30.57 61.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.996 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -44.41 64.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -59.32 -40.13 85.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.838 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -71.79 -38.02 70.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 -69.28 -31.4 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.2 -49.71 73.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.92 -33.89 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -70.93 -29.93 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.97 -60.07 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.0 p -63.15 -40.02 96.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -98.54 29.78 3.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.61 -45.54 61.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.39 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.09 -38.0 61.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.08 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -75.4 -30.0 59.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.413 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mt -48.19 -57.53 10.27 Favored Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.685 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -44.7 -33.85 7.49 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.53 2.153 . . . . 0.0 112.579 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -75.07 -31.0 61.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.4 mm -75.69 110.46 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.27 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -32.33 72.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.471 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -149.18 116.24 6.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.801 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -117.45 138.64 51.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.039 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.63 119.97 14.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.705 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -109.07 151.25 26.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -147.27 119.99 8.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.806 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.416 HG23 ' CE1' ' A' ' 71' ' ' PHE . 16.3 p -114.03 132.03 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.6 mt -141.4 145.62 35.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.7 p -74.68 154.34 87.35 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.17 -47.8 25.56 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.549 2.166 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.02 -41.05 86.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.69 -41.94 96.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.422 ' CH2' HD11 ' A' ' 65' ' ' LEU . 2.1 t-105 -73.57 -37.41 65.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.1 m -59.94 -30.99 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -88.41 -30.42 19.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -97.09 39.58 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.91 63.23 2.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.21 94.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.194 -0.907 . . . . 0.0 110.964 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttt . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.741 0.305 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -152.67 121.25 6.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.48 70.81 1.0 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.552 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m -61.72 123.0 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -104.74 -31.34 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 61.74 83.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.19 79.12 1.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -162.62 120.69 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -139.96 137.91 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -92.29 79.66 5.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -71.29 168.43 17.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.66 146.22 48.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.9 p -90.7 -57.03 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.61 72.03 0.68 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.96 73.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -103.99 39.99 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tt 61.52 30.3 18.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t 58.18 94.45 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.82 129.29 19.44 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.445 2.096 . . . . 0.0 112.286 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 169.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.33 -109.79 0.35 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.43 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m 58.5 -178.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.336 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.59 101.34 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.77 -56.36 6.64 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.5 -169.43 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.23 24.88 5.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.278 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -61.4 -30.07 70.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.887 0.375 . . . . 0.0 110.657 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.42 -23.08 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.068 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -55.48 119.04 5.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -43.95 164.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.596 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m -161.75 147.46 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.36 -53.83 25.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.191 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -30.56 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -59.73 -55.04 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.6 mt -65.28 -31.28 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -68.09 -60.0 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.44 -40.48 96.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -60.04 -56.05 26.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.17 -41.35 92.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -59.01 -45.25 91.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -75.32 -46.35 33.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.03 -49.74 76.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -80.9 -21.22 40.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 62.55 43.66 7.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.94 0.4 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.69 164.02 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.44 -61.15 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -130.31 147.75 52.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.8 m -145.83 159.73 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.195 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.01 129.2 12.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -108.9 158.46 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -147.29 163.69 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -146.09 120.93 9.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.766 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.9 p -67.01 -73.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.6 m 62.41 148.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -108.52 -52.29 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -127.22 -45.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 -137.33 -57.94 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.7 m -151.21 119.34 6.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.34 23.8 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.359 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 55.6 -165.14 0.12 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 m 64.57 129.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -150.02 151.64 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.017 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -126.24 149.04 49.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.802 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.75 154.15 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.248 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD13 ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -116.6 137.05 52.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.778 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.19 125.76 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.52 119.96 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.92 165.09 3.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.35 -19.14 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.422 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -33.54 54.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.851 0.358 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CD2' ' HB ' ' A' ' 101' ' ' THR . 2.7 m-85 -74.9 -30.9 61.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.986 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -31.05 70.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.91 -34.08 76.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -101.3 152.85 38.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.676 0.274 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.52 170.29 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.579 2.186 . . . . 0.0 112.276 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.93 -49.77 66.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.71 -31.49 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -65.48 -30.03 70.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -59.25 -54.95 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -60.36 -35.85 76.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -40.15 92.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.68 -46.17 86.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.73 -37.93 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -66.96 -35.43 79.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.15 -37.58 87.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.06 -60.0 4.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.4 mt -99.58 47.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.19 -53.11 61.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.2 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -75.07 -32.57 61.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.2 -29.87 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.386 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.405 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.1 mt -51.41 -58.03 12.17 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.527 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.405 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.1 Cg_exo -44.96 -31.9 5.89 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.654 2.236 . . . . 0.0 112.541 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -74.98 -31.78 61.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.3 mm -74.99 117.12 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -63.36 -35.79 81.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.677 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.54 116.48 4.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -119.02 142.64 47.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.043 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -139.82 119.93 13.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.815 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -119.59 130.54 55.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.969 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.2 123.43 46.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.42 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 18.8 p -120.19 132.66 55.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.7 mt -144.94 165.91 26.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 16.7 p -79.56 147.6 67.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.19 -47.47 26.81 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.56 2.174 . . . . 0.0 112.262 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.91 -40.81 90.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.33 -55.01 36.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.422 ' CH2' HD13 ' A' ' 65' ' ' LEU . 1.9 t-105 -59.06 -34.46 71.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.2 m -60.03 -43.1 95.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -97.99 26.72 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -116.63 -9.18 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.383 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -131.79 71.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.9 -175.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.831 0.348 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 176.27 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.26 36.26 24.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.544 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 m 60.54 109.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -60.62 -65.32 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -73.13 98.64 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.95 157.54 18.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -176.63 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -59.93 127.19 30.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -149.05 84.2 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 60.52 34.12 20.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.67 -52.0 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 t -82.86 163.57 21.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.13 -52.1 0.96 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.72 92.52 3.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.794 0.331 . . . . 0.0 111.052 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.37 99.98 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 mt -133.32 56.09 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.79 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.6 t -114.0 88.4 14.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.81 160.22 3.03 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.55 2.167 . . . . 0.0 112.327 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.45 -176.43 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.13 -153.21 7.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 m -124.0 129.14 50.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.86 0.362 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -115.49 137.94 51.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.74 28.51 5.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.48 161.03 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.35 28.37 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -58.9 -30.72 68.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.59 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.2 tpp -109.79 -26.27 9.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -96.41 130.72 43.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -43.89 141.43 1.62 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.495 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.41 147.14 47.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.04 93.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -60.7 -31.09 70.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -61.29 -48.45 81.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.8 mt -68.25 -36.94 80.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -69.18 -53.6 19.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.22 -30.71 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -63.8 -60.06 3.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.84 -30.0 70.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 ttp85 -57.56 -55.48 34.26 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.24 -30.61 60.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.065 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -57.02 10.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.62 -14.73 39.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.265 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 61.22 59.37 1.98 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.013 0.435 . . . . 0.0 110.807 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.85 174.27 11.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.152 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -94.01 -52.5 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -125.48 134.49 52.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.5 m -131.79 145.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -143.44 124.82 14.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.04 145.69 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -144.26 165.09 28.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -139.46 127.2 21.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.743 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.4 p -98.25 35.51 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.75 175.87 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 mt -139.82 -50.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -72.84 156.95 38.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -70.06 -173.81 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.32 110.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.5 84.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.24 120.31 25.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 p -84.59 156.4 21.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -150.06 150.21 31.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.72 140.57 51.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.768 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.36 146.87 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 HD12 ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -133.52 133.94 42.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.833 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.85 128.0 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.234 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.419 HG23 ' CD2' ' A' ' 107' ' ' TRP . 23.3 t -134.33 119.87 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.89 179.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.59 -16.74 41.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.413 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -51.72 -33.42 34.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.82 0.343 . . . . 0.0 111.062 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.411 ' CD2' ' HB ' ' A' ' 101' ' ' THR . 23.2 m-85 -74.9 -30.66 61.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.62 -31.61 72.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.42 -49.77 74.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.06 159.64 30.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.708 0.289 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.38 -175.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.178 . . . . 0.0 112.334 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tp -79.81 -44.31 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.06 -31.08 61.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -48.07 69.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -59.58 -38.66 81.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -62.05 -39.24 91.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -70.53 -30.77 67.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.93 -45.24 90.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.59 -36.49 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -74.92 -37.34 62.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.73 -51.12 71.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.0 t -60.07 -39.33 85.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.12 26.35 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.87 -43.22 96.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.391 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.14 -40.82 59.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.207 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -75.33 -32.53 60.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.689 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -45.34 -57.02 8.16 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.749 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -44.72 -35.99 10.0 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.584 2.19 . . . . 0.0 112.501 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -75.12 -31.02 61.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.1 mm -74.79 113.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.287 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -61.18 -33.7 73.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.007 0.432 . . . . 0.0 110.462 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.04 116.27 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.749 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -116.81 120.66 39.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -128.95 119.95 25.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.717 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.37 141.52 51.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.33 120.03 27.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.789 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.411 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 73.4 p -109.16 135.14 50.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.6 mt -149.69 163.72 37.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.1 p -80.23 153.14 74.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.27 -53.98 5.99 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.53 2.154 . . . . 0.0 112.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.46 -36.31 75.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -44.38 97.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.419 ' CD2' HG23 ' A' ' 67' ' ' VAL . 1.6 t-105 -74.87 -34.93 62.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.05 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.9 m -58.72 -31.14 68.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -79.82 -31.39 40.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -98.85 45.86 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -97.17 39.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -80.9 136.86 36.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.885 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.684 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -59.97 -47.03 87.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -31.4 72.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -63.08 -52.27 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.672 HD22 HD13 ' A' ' 87' ' ' LEU . 38.4 mt -71.79 -31.34 66.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HD3' HG12 ' A' ' 50' ' ' VAL . 6.2 ttp180 -67.94 -57.73 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.07 -39.93 87.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -60.41 -50.29 74.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.74 -39.58 87.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -59.84 -50.66 72.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -38.95 60.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.7 -50.99 64.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.535 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 19.4 mt -84.19 -21.32 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 63.3 77.88 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.45 -176.66 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -100.86 -54.74 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -129.62 131.19 46.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.409 HG12 HG22 ' A' ' 66' ' ' VAL . 22.3 m -135.83 147.94 28.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -140.32 120.13 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.684 ' CG2' ' HB1' ' A' ' 32' ' ' ALA . 11.4 p -107.52 149.81 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -142.65 162.93 34.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.818 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.781 0.324 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -131.55 130.08 41.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -111.73 130.29 55.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.8 m -127.88 136.05 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.745 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -125.01 142.08 51.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.745 ' N ' HD13 ' A' ' 65' ' ' LEU . 22.4 t -143.99 130.78 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -126.42 119.89 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.17 -176.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -103.01 -17.21 15.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.369 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.03 -30.28 47.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.908 0.385 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.535 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 9.1 m-85 -75.04 -31.58 61.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -41.53 93.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.84 -32.03 69.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.545 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.653 ' HD3' HD11 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -100.69 151.32 37.56 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.26 161.38 2.68 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.591 2.194 . . . . 0.0 112.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.29 -48.32 82.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER -66.76 -30.79 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -66.53 -31.4 72.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -62.48 -56.66 15.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -61.58 -43.52 98.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -31.46 72.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.02 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.653 HD11 ' HD3' ' A' ' 74' ' ' LYS . 5.7 mt -64.21 -47.87 78.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.22 -33.12 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -72.45 -35.69 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.88 -39.77 94.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -59.47 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.672 HD13 HD22 ' A' ' 35' ' ' LEU . 7.2 mt -95.17 45.04 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.0 89.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.1 -35.56 61.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -75.27 -29.82 60.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.297 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.3 mt -49.49 -58.45 9.04 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.483 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.5 Cg_exo -44.9 -32.55 6.43 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.572 2.181 . . . . 0.0 112.619 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -74.93 -31.55 61.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.016 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.6 mm -74.05 114.45 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -65.23 -32.12 73.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.711 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 117.0 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.437 ' HE2' HD13 ' A' ' 35' ' ' LEU . 4.6 t80 -123.23 137.85 54.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.64 119.99 13.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.53 152.44 39.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.49 120.07 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.9 p -111.17 140.64 45.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.656 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.8 mt -149.98 179.99 7.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.18 159.04 30.61 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.83 -29.99 41.18 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.469 2.112 . . . . 0.0 112.244 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -71.92 -43.05 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.791 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -66.17 -47.24 74.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.669 ' CH2' HD11 ' A' ' 65' ' ' LEU . 2.1 t-105 -60.14 -57.27 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -69.21 -53.9 17.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -59.87 -30.09 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -58.94 -57.38 13.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.647 HD22 HD22 ' A' ' 87' ' ' LEU . 48.0 mt -65.86 -31.12 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -68.05 -54.6 17.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -59.56 -30.6 68.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -69.21 -58.82 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.482 HD22 HG13 ' A' ' 83' ' ' VAL . 58.3 mt -58.63 -32.5 69.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.023 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.6 ttp85 -59.83 -53.27 59.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -75.25 -32.19 61.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.043 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.94 -52.63 64.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.5 mt -98.19 -7.09 30.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.374 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 58.81 35.05 24.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.885 0.374 . . . . 0.0 110.806 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 165.72 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.57 -62.67 1.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.796 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.53 143.67 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.4 m -146.04 158.16 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -150.03 121.07 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.0 p -105.19 158.33 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.486 ' N ' HG22 ' A' ' 50' ' ' VAL . 3.8 tt0 -141.82 167.99 20.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.796 -179.874 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.777 0.322 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -140.5 150.93 44.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -138.39 120.07 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.644 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.441 HG12 HG23 ' A' ' 50' ' ' VAL . 29.6 m -118.63 154.27 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.322 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -123.44 137.85 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.74 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.763 ' N ' HD13 ' A' ' 65' ' ' LEU . 22.0 t -130.9 131.22 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.22 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.411 HG23 ' CD1' ' A' ' 65' ' ' LEU . 34.1 t -140.39 119.94 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.984 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.65 178.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.44 -18.6 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.355 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -50.62 -35.02 28.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.852 0.358 . . . . 0.0 111.061 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.449 ' CE2' ' HB ' ' A' ' 101' ' ' THR . 20.3 m-85 -75.06 -30.91 61.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.416 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.7 OUTLIER -61.75 -47.29 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.89 -59.99 9.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.65 ' HD3' HD11 ' A' ' 82' ' ' LEU . 14.6 mttp -77.83 157.48 79.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.691 0.281 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.4 -167.79 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.525 2.15 . . . . 0.0 112.3 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tt -83.78 -33.41 24.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -75.0 -32.75 61.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -73.06 -45.68 56.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 13.5 ptp180 -59.73 -44.26 93.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -63.13 -36.14 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -74.35 -32.31 62.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.65 HD11 ' HD3' ' A' ' 74' ' ' LYS . 9.1 mt -58.89 -49.99 75.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.482 HG13 HD22 ' A' ' 39' ' ' LEU . 22.0 t -61.44 -43.58 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.84 -40.54 83.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.37 -37.46 77.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.21 -57.48 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.647 HD22 HD22 ' A' ' 35' ' ' LEU . 4.8 mt -97.34 46.66 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.18 73.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.177 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.08 -34.55 61.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.07 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -75.14 -29.91 60.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.379 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.0 mt -50.24 -58.24 10.31 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.445 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.422 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.2 Cg_exo -44.78 -32.44 6.09 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.661 2.241 . . . . 0.0 112.521 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -74.98 -31.45 61.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.9 mm -75.05 114.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -65.95 -31.5 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.725 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -154.31 116.79 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.475 ' HE2' HD13 ' A' ' 35' ' ' LEU . 21.6 t80 -120.29 139.3 52.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -148.11 119.99 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -135.77 147.84 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -113.85 166.09 11.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.449 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 18.4 p -148.24 131.75 16.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.62 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 8.2 mt -149.36 161.57 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.452 ' HG1' ' HB2' ' A' ' 106' ' ' GLN . 25.8 p -84.53 155.26 62.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.54 -48.35 21.87 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.574 2.183 . . . . 0.0 112.248 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -31.0 68.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.452 ' HB2' ' HG1' ' A' ' 103' ' ' THR . 20.5 mt-30 -73.56 -53.88 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.62 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.4 t-105 -64.19 -47.71 78.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.996 -179.891 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.57 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -59.6 -49.2 78.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -31.54 70.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -60.38 -52.74 63.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.761 HD22 HD22 ' A' ' 87' ' ' LEU . 34.1 mt -69.39 -30.82 68.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -69.54 -57.98 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -59.47 -36.6 76.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -60.21 -60.0 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.818 HD22 HG13 ' A' ' 83' ' ' VAL . 8.1 mt -66.54 -31.67 72.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -69.92 -44.21 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -75.44 -41.67 55.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.66 -51.61 69.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.743 HD13 ' CZ ' ' A' ' 71' ' ' PHE . 11.9 mt -85.52 -20.17 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 62.15 41.97 10.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.402 ' CB ' HG13 ' A' ' 66' ' ' VAL . . . -61.49 -177.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -96.37 -54.6 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.09 129.46 34.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 66' ' ' VAL . 29.4 m -128.12 160.16 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -147.82 127.38 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.57 HG22 ' HB1' ' A' ' 32' ' ' ALA . 11.1 p -122.73 143.84 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -139.17 174.06 10.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.5 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -149.98 149.58 30.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 50' ' ' VAL . 1.1 mtt180 -130.81 139.45 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.7 m -130.43 132.74 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -115.09 137.42 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.758 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.6 t -142.82 136.35 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.2 t -142.81 119.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.043 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.94 -178.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.11 -15.62 31.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.412 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -52.55 -35.91 54.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 0.0 111.059 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.743 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 12.0 m-85 -75.13 -30.35 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.001 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.0 -31.36 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.47 -30.04 76.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.59 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.777 ' CD ' HD11 ' A' ' 82' ' ' LEU . 10.7 mttm -112.13 154.68 44.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.48 173.01 8.32 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.562 2.174 . . . . 0.0 112.302 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.8 tp -58.43 -43.34 88.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 78' ' ' GLN . 3.5 pp -59.4 -32.87 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.409 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.6 tp60 -74.97 -37.02 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 83' ' ' VAL . 67.2 mtt180 -59.51 -43.45 93.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -74.85 -49.25 21.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -60.4 -34.12 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.777 HD11 ' CD ' ' A' ' 74' ' ' LYS . 11.0 mt -61.68 -55.61 28.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.818 HG13 HD22 ' A' ' 39' ' ' LEU . 30.2 t -60.42 -32.6 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.45 ' OD1' HD11 ' A' ' 91' ' ' LEU . 24.2 m-20 -70.32 -41.64 73.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -65.16 -34.76 79.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -60.04 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.835 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.761 HD22 HD22 ' A' ' 35' ' ' LEU . 3.8 mt -99.99 38.01 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.6 91.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -75.16 -42.16 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.29 -29.98 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.449 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.45 HD11 ' OD1' ' A' ' 84' ' ' ASN . 6.2 mt -46.49 -58.49 6.6 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.664 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.7 Cg_exo -44.9 -33.56 7.6 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.644 2.229 . . . . 0.0 112.517 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -74.97 -30.47 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.4 127.97 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -74.89 -34.12 62.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.699 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.09 116.89 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.957 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.574 ' HE2' HD13 ' A' ' 35' ' ' LEU . 40.0 t80 -120.68 136.31 54.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -138.66 127.78 24.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.75 158.23 40.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -144.67 120.13 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.5 p -108.85 133.77 52.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.777 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 9.3 mt -147.27 164.52 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.1 p -88.84 154.62 50.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.44 -48.98 19.02 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.563 2.175 . . . . 0.0 112.286 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.6 -33.96 72.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -70.47 -42.82 70.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.777 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.8 t-105 -73.57 -46.11 49.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -62.7 -50.22 71.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -59.95 -30.93 69.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -60.26 -46.49 89.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.109 HD22 HD13 ' A' ' 87' ' ' LEU . 22.0 mt -75.0 -31.38 61.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.669 ' HE ' HG12 ' A' ' 50' ' ' VAL . 1.1 ttm180 -67.51 -57.47 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.79 -38.09 80.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -60.34 -57.38 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.03 -46.64 80.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -45.45 91.14 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -75.29 -48.05 25.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -59.48 -59.98 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.648 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 18.5 mt -70.94 -23.72 62.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 62.84 82.35 0.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.402 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -113.6 176.39 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -57.03 3.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -128.45 138.91 52.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.0 m -140.17 151.86 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -139.68 122.71 16.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.669 HG12 ' HE ' ' A' ' 36' ' ' ARG . 12.0 p -115.63 157.07 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.187 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 50' ' ' VAL . 9.1 tp10 -150.03 158.07 43.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.3 t0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 -179.838 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.414 ' CB ' ' HB3' ' A' ' 96' ' ' ALA . 6.2 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.519 ' HD1' HG23 ' A' ' 94' ' ' ILE . 86.5 m-85 -107.4 140.68 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -126.61 120.01 28.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.1 m -118.87 141.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.106 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 66' ' ' VAL . 1.2 tm? -128.52 140.76 51.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.837 ' N ' HD13 ' A' ' 65' ' ' LEU . 18.7 t -138.99 143.31 31.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.3 t -145.19 122.6 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.59 172.52 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.35 -21.16 27.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.354 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.99 -30.61 59.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.648 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 2.6 m-85 -74.98 -31.25 61.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.646 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.5 OUTLIER -60.32 -31.22 70.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.35 -32.24 83.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -106.85 157.43 35.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.665 0.269 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.37 -168.76 0.27 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.647 2.231 . . . . 0.0 112.229 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 tt -84.93 -31.29 23.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.504 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -75.07 -33.59 61.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -75.06 -50.75 15.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.432 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 18.7 ptt180 -60.21 -44.01 95.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -61.29 -37.85 84.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.485 ' NH2' HD12 ' A' ' 77' ' ' LEU . 7.9 mtm180 -72.44 -31.78 65.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.459 ' HB3' HD21 ' A' ' 43' ' ' LEU . 11.0 mt -60.21 -38.91 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.51 -42.58 78.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -69.18 -40.77 77.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -63.5 -34.02 76.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -60.0 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.109 HD13 HD22 ' A' ' 35' ' ' LEU . 5.4 mt -104.33 52.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.87 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -75.13 -35.81 61.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.997 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.23 -29.91 60.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.359 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.2 mt -49.12 -58.57 8.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.54 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.424 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.3 Cg_exo -44.92 -32.66 6.59 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.506 2.137 . . . . 0.0 112.607 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -75.0 -31.61 61.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.519 HG23 ' HD1' ' A' ' 62' ' ' PHE . 24.2 mm -73.68 117.23 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -64.28 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' ' 61' ' ' SER . . . -155.88 116.99 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.977 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.576 ' HE2' HD13 ' A' ' 35' ' ' LEU . 25.7 t80 -123.36 139.75 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -143.38 120.03 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -114.59 142.8 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -135.05 126.73 29.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.2 p -119.91 139.12 52.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.692 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 7.2 mt -148.62 156.52 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.646 HG22 ' HG2' ' A' ' 72' ' ' GLU . 16.0 p -79.33 154.86 76.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.49 -48.96 19.16 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.589 2.193 . . . . 0.0 112.291 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.04 -36.84 75.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -64.44 -48.48 75.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.692 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.5 t-105 -71.52 -35.82 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.741 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -62.02 -50.17 73.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.48 -30.05 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -59.68 -48.81 80.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.879 HD22 HD13 ' A' ' 87' ' ' LEU . 18.3 mt -74.93 -33.62 61.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' HD3' HG12 ' A' ' 50' ' ' VAL . 47.5 ttp85 -69.84 -48.24 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -60.07 -47.38 86.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -59.93 -50.82 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.24 -51.99 57.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HB2' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -59.45 -41.36 89.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.052 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -75.35 -44.03 47.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.057 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -67.68 -59.95 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' A' ' 71' ' ' PHE . 84.5 mt -67.69 -25.25 65.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.035 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 62.0 51.62 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.932 0.396 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.89 179.45 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.15 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -94.62 -51.64 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -137.66 121.6 17.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.6 m -123.1 161.15 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -149.54 128.33 12.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.741 ' CG2' ' HB1' ' A' ' 32' ' ' ALA . 11.0 p -121.02 145.5 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.94 166.06 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.817 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.702 ' HA ' ' HB3' ' A' ' 96' ' ' ALA . 16.5 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.767 0.318 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -116.57 161.24 19.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -145.14 120.16 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.498 HG12 HG23 ' A' ' 50' ' ' VAL . 23.6 m -120.37 141.89 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.215 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -112.82 152.27 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.759 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.493 ' HA ' HG12 ' A' ' 48' ' ' VAL . 20.2 t -149.98 119.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.261 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.96 119.94 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.014 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.93 -172.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -98.37 -0.05 44.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.541 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -59.69 -39.77 85.67 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.813 0.34 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.575 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 27.8 m-85 -74.98 -30.39 61.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.99 -30.22 70.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.94 -49.78 74.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.577 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -104.16 163.05 18.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.666 0.27 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.5 -175.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.523 2.148 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.414 ' C ' HD23 ' A' ' 76' ' ' LEU . 8.8 tt -78.74 -33.85 46.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.05 -31.81 61.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.01 -45.84 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.436 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 7.8 ptp180 -60.09 -38.07 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -67.12 -36.51 82.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -71.09 -33.23 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -60.16 -45.73 92.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.73 -42.07 94.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.54 -40.57 80.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.31 -32.23 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.05 -60.02 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.879 HD13 HD22 ' A' ' 35' ' ' LEU . 4.2 mt -108.04 44.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.9 92.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -75.06 -36.05 61.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.507 ' OE2' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.3 -29.85 60.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.368 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.413 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.3 mt -48.66 -57.83 9.98 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.589 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.7 Cg_exo -44.89 -31.16 5.01 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.668 2.246 . . . . 0.0 112.583 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -75.0 -32.23 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.4 mm -74.29 113.62 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -60.58 -33.69 73.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.736 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.702 ' HB3' ' HA ' ' A' ' 61' ' ' SER . . . -148.18 118.68 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.988 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -123.18 133.65 54.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -140.7 120.0 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.466 ' OE1' HG23 ' A' ' 101' ' ' THR . 1.6 pp0? -126.94 145.75 50.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.43 ' HB3' HD13 ' A' ' 65' ' ' LEU . 5.2 tptt -124.87 130.82 53.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.807 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.466 HG23 ' OE1' ' A' ' 99' ' ' GLN . 72.0 p -121.21 126.27 49.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.66 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.1 mt -149.15 172.64 14.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.0 p -92.85 155.59 41.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.97 -50.26 13.83 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.569 2.179 . . . . 0.0 112.308 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.26 -41.59 89.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -59.72 -48.49 81.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.66 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -67.69 -44.89 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.599 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -65.8 -46.27 79.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -31.46 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -60.96 -46.05 92.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.709 HD22 HD13 ' A' ' 87' ' ' LEU . 20.4 mt -73.12 -31.14 64.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -67.2 -59.97 2.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.43 -32.92 71.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -65.12 -59.97 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.7 mt -59.39 -31.36 69.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HB2' HG21 ' A' ' 48' ' ' VAL . 7.6 ttp180 -59.52 -59.21 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -75.2 -39.27 60.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.1 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -59.1 -59.94 4.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.53 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 32.8 mt -79.96 -18.23 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 63.66 77.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.18 174.53 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -89.78 -51.64 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -135.1 120.13 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.487 HG12 HG13 ' A' ' 66' ' ' VAL . 22.9 m -116.32 152.96 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -143.75 144.28 31.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.599 ' CG2' ' HB1' ' A' ' 32' ' ' ALA . 11.0 p -126.56 158.31 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.48 ' N ' HG22 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -141.65 166.92 23.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t0 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.825 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.422 ' OG ' ' HB3' ' A' ' 96' ' ' ALA . 17.5 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.814 0.34 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -150.05 144.95 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.13 120.12 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.547 HG11 ' CZ ' ' A' ' 97' ' ' PHE . 31.4 m -101.56 135.32 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.875 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.0 tm? -133.18 139.29 46.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.875 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.4 t -144.23 141.61 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.229 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 t -133.65 119.98 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 t -176.29 175.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.64 -22.18 21.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.323 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.34 -33.17 52.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.53 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 3.3 m-85 -75.06 -30.06 60.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.682 ' HG2' HG22 ' A' ' 103' ' ' THR . 3.8 mm-40 -63.2 -37.56 87.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.97 -54.72 35.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.538 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -77.83 157.24 79.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.662 0.268 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.14 -171.17 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.57 2.18 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.3 tt -78.41 -31.22 48.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.504 HD12 ' OE1' ' A' ' 78' ' ' GLN . 0.3 OUTLIER -74.96 -31.16 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.504 ' OE1' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -73.84 -44.83 54.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.686 ' O ' HG23 ' A' ' 83' ' ' VAL . 11.2 ptp180 -59.01 -40.45 84.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -74.62 -31.45 62.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -73.95 -40.23 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.475 ' HB3' HD21 ' A' ' 43' ' ' LEU . 12.1 mt -63.05 -44.24 96.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 79' ' ' ARG . 26.8 t -67.73 -44.48 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -65.68 -47.48 75.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.35 -31.0 69.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.55 -58.6 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.709 HD13 HD22 ' A' ' 35' ' ' LEU . 4.2 mt -102.91 39.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.79 80.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -75.17 -42.19 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -75.27 -29.94 60.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.429 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.3 mt -46.42 -58.52 6.49 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.575 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.9 Cg_exo -44.95 -33.61 7.76 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.196 . . . . 0.0 112.546 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -75.02 -30.99 61.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.1 mm -74.42 122.72 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -68.18 -34.91 77.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.69 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.422 ' HB3' ' OG ' ' A' ' 61' ' ' SER . . . -149.17 116.95 6.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.978 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.547 ' CZ ' HG11 ' A' ' 64' ' ' VAL . 18.7 t80 -121.87 130.79 53.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -121.74 119.98 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -100.12 123.96 44.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.434 ' HE2' HD23 ' A' ' 65' ' ' LEU . 6.6 ttpt -132.77 124.14 27.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.802 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.1 p -126.09 144.39 50.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.709 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 11.0 mt -150.02 163.32 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.682 HG22 ' HG2' ' A' ' 72' ' ' GLU . 19.6 p -88.71 151.32 47.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.8 -44.36 49.9 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.496 2.131 . . . . 0.0 112.298 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -59.89 -46.05 90.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -60.06 -49.55 77.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.709 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 3.4 t-105 -61.44 -50.94 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.597 ' O ' HG21 ' A' ' 50' ' ' VAL . . . -74.99 -53.01 9.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -31.57 72.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -60.29 -59.45 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.842 HD22 HD13 ' A' ' 87' ' ' LEU . 40.7 mt -61.68 -30.63 70.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -69.74 -60.03 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -60.09 -36.81 78.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HD3' HD23 ' A' ' 87' ' ' LEU . 28.0 tttp -60.09 -42.15 94.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.3 mt -75.06 -49.43 19.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.78 ' HB2' HG11 ' A' ' 48' ' ' VAL . 1.2 tmt_? -58.51 -37.9 76.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -75.33 -45.96 36.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.08 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.16 -60.02 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.639 HD22 ' CZ ' ' A' ' 71' ' ' PHE . 11.9 mt -65.78 -24.92 67.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.079 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 62.1 46.24 6.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.756 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.31 -176.12 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -97.02 -53.72 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -122.31 146.21 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.78 HG11 ' HB2' ' A' ' 40' ' ' ARG . 16.7 m -142.62 154.76 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -150.02 130.48 13.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 32' ' ' ALA . 10.9 p -127.71 150.14 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -150.01 174.89 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.6 t70 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.76 -179.751 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.739 0.304 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.419 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 5.5 m-85 -139.37 162.57 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.502 HH12 HD23 ' A' ' 65' ' ' LEU . 8.8 ttt-85 -126.42 120.04 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.79 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.449 ' CG2' ' CZ ' ' A' ' 97' ' ' PHE . 24.8 m -105.79 146.69 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.795 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -129.61 139.5 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.812 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.795 ' N ' HD13 ' A' ' 65' ' ' LEU . 16.4 t -139.75 145.15 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.232 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.6 t -150.0 119.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.38 168.45 2.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.14 -18.93 52.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.364 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -33.04 62.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.777 0.323 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.639 ' CZ ' HD22 ' A' ' 43' ' ' LEU . 2.6 m-85 -75.0 -30.53 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.603 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.5 OUTLIER -58.68 -34.56 71.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.65 -29.91 67.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -111.01 154.36 43.47 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.636 0.255 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.32 174.17 5.42 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.629 2.219 . . . . 0.0 112.298 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 tp -59.81 -46.15 90.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.407 HD12 HE22 ' A' ' 78' ' ' GLN . 0.5 OUTLIER -59.69 -32.71 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.974 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.407 HE22 HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -75.04 -31.97 61.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HG2' ' CD1' ' A' ' 71' ' ' PHE . 31.3 mtt180 -59.77 -59.5 5.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -60.23 -31.35 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -36.15 78.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB3' HD21 ' A' ' 43' ' ' LEU . 12.4 mt -64.87 -49.37 70.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.417 HG21 ' OE1' ' A' ' 99' ' ' GLN . 21.3 t -59.72 -42.09 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.33 -43.52 94.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.26 -34.36 75.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.13 -59.92 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.842 HD13 HD22 ' A' ' 35' ' ' LEU . 6.2 mt -100.63 36.61 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.802 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.77 -31.54 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.38 -48.74 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -75.36 -29.93 60.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.625 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.409 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.3 mt -45.06 -58.05 6.22 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.645 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.9 Cg_exo -44.91 -34.62 8.94 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.644 2.23 . . . . 0.0 112.514 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -74.93 -30.41 61.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.0 mm -75.33 129.2 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -74.34 -33.96 63.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.732 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.52 116.82 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.987 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.582 ' HE1' HD13 ' A' ' 35' ' ' LEU . 49.9 t80 -123.38 123.32 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -114.68 121.57 43.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.417 ' OE1' HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -127.53 142.92 51.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -137.65 128.08 26.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.974 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 p -117.7 136.75 53.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.659 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.0 mt -145.85 178.26 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.603 HG22 ' HG2' ' A' ' 72' ' ' GLU . 40.4 p -92.74 155.77 41.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.79 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 103' ' ' THR . 40.0 Cg_endo -66.82 -36.37 24.0 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.594 2.196 . . . . 0.0 112.268 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.7 -33.28 72.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.541 ' OE1' HD22 ' A' ' 102' ' ' LEU . 81.4 mt-30 -74.94 -48.07 26.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.659 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 3.6 t-105 -59.55 -30.92 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 90.3 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.429 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -61.08 -47.45 86.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -31.39 69.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -68.13 -47.51 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.76 HD22 HD13 ' A' ' 87' ' ' LEU . 34.7 mt -67.47 -36.53 81.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.043 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.617 ' NE ' HG23 ' A' ' 48' ' ' VAL . 1.3 ttt180 -70.66 -47.4 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.63 -35.64 81.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -60.0 -60.01 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.45 -30.76 70.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -59.94 -60.18 4.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -75.17 -35.61 61.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.07 -52.81 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.055 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.519 HD21 HD13 ' A' ' 82' ' ' LEU . 6.3 mt -93.16 -15.5 25.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.275 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 62.35 60.05 1.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 0.0 110.773 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' CB ' HG13 ' A' ' 66' ' ' VAL . . . -85.57 170.82 12.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.2 -53.83 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -130.2 137.1 49.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.807 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.617 HG23 ' NE ' ' A' ' 36' ' ' ARG . 14.5 m -141.01 147.3 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -144.19 132.62 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.431 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.1 p -125.4 155.25 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 50' ' ' VAL . 11.2 pt-20 -146.74 167.73 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.826 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.61 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 12.1 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.758 0.313 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -135.42 155.16 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -138.02 124.62 20.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.447 HG22 ' CE1' ' A' ' 97' ' ' PHE . 29.9 m -110.95 131.68 61.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.675 HD11 ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -117.76 135.38 54.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.605 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.5 t -144.24 143.06 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.219 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 t -147.52 119.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.07 -170.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.9 -17.35 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.438 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -52.68 -31.48 37.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.882 0.372 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.445 ' CZ ' ' CG2' ' A' ' 101' ' ' THR . 16.2 m-85 -75.0 -31.51 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -31.35 71.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.67 -40.66 99.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.643 ' HD2' HD11 ' A' ' 82' ' ' LEU . 17.7 mttt -104.02 153.15 39.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.667 0.27 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.84 167.57 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.573 2.182 . . . . 0.0 112.269 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 76' ' ' LEU . 4.9 tt -64.65 -43.22 94.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.59 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.02 -33.6 76.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.95 -30.15 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.414 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 68.3 mtt180 -59.13 -56.49 21.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -60.1 -34.48 73.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -70.26 -31.22 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.643 HD11 ' HD2' ' A' ' 74' ' ' LYS . 11.4 mt -66.06 -49.94 65.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.406 HG11 ' HG2' ' A' ' 99' ' ' GLN . 21.5 t -59.7 -35.86 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.96 -38.78 79.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.48 -42.89 98.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -56.78 17.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.76 HD13 HD22 ' A' ' 35' ' ' LEU . 8.4 mt -99.01 40.98 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.88 85.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -75.06 -36.74 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -75.35 -29.91 60.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.497 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.7 mt -48.37 -57.85 9.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.659 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.6 Cg_exo -44.85 -33.28 7.13 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.584 2.189 . . . . 0.0 112.658 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -75.04 -30.8 61.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.0 mm -75.52 122.24 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -74.54 -31.75 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 61' ' ' SER . . . -149.63 120.18 7.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 98' ' ' GLU . 9.1 t80 -131.15 144.43 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.047 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.45 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 3.5 tt0 -130.95 119.95 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.782 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.406 ' HG2' HG11 ' A' ' 83' ' ' VAL . 5.5 mt-30 -100.32 126.54 46.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.631 ' HB3' HD22 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -127.91 120.03 26.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.782 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.445 ' CG2' ' CZ ' ' A' ' 71' ' ' PHE . 18.3 p -129.85 129.7 44.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.685 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 6.9 mt -150.07 162.15 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.03 162.58 51.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.55 -42.86 6.44 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.489 2.126 . . . . 0.0 112.23 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -40.09 89.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -68.09 -50.43 55.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.685 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.8 t-105 -59.78 -30.8 69.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.868 0.366 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.68 -52.43 25.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -32.03 71.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -60.75 -54.47 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.705 HD22 HD13 ' A' ' 87' ' ' LEU . 87.9 mt -62.32 -41.2 98.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.599 ' HD3' HG12 ' A' ' 50' ' ' VAL . 30.7 ttp180 -60.77 -60.1 4.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.13 -35.06 74.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -63.18 -60.02 3.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.592 HD22 HG13 ' A' ' 83' ' ' VAL . 14.1 mt -64.16 -35.72 81.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -59.23 -52.24 66.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -75.37 -42.0 55.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -59.54 -51.39 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 82' ' ' LEU . 6.2 mt -85.55 -20.92 28.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.07 78.39 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.77 -175.42 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -100.78 -53.91 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -131.33 125.84 33.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.536 HG12 HG22 ' A' ' 66' ' ' VAL . 7.5 m -124.95 150.07 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.99 126.52 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.599 HG12 ' HD3' ' A' ' 36' ' ' ARG . 11.4 p -119.95 151.67 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -131.78 159.11 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.8 t0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.761 -179.78 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.839 0.352 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -134.88 158.06 45.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -130.6 127.45 39.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.411 ' CG2' ' CE1' ' A' ' 97' ' ' PHE . 30.7 m -112.73 129.07 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 66' ' ' VAL . 1.2 tm? -125.98 142.89 51.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.865 ' N ' HD13 ' A' ' 65' ' ' LEU . 22.1 t -147.44 138.27 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.25 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.2 t -132.27 119.98 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.924 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.31 -176.91 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.928 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.61 -14.5 16.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.498 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -55.3 -30.86 61.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -75.01 -31.01 61.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.13 -30.89 68.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.39 -49.01 83.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.424 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -99.2 154.33 37.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.829 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.54 173.94 7.08 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.583 2.189 . . . . 0.0 112.27 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.582 HD12 ' HE ' ' A' ' 79' ' ' ARG . 11.4 tp -59.45 -43.96 93.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -59.22 -31.32 68.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -74.96 -57.54 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.582 ' HE ' HD12 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -59.33 -33.87 71.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.487 ' NE2' HD11 ' A' ' 76' ' ' LEU . 13.5 m170 -70.04 -38.52 75.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -75.0 -31.27 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.564 ' HB3' HD21 ' A' ' 43' ' ' LEU . 11.5 mt -60.07 -55.62 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.592 HG13 HD22 ' A' ' 39' ' ' LEU . 21.7 t -61.71 -34.08 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -72.06 -44.8 62.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.24 -34.64 76.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.002 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.22 -57.72 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.705 HD13 HD22 ' A' ' 35' ' ' LEU . 11.2 mt -98.33 46.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.27 -53.69 53.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.08 -32.03 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.21 -29.89 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.298 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.9 mt -51.2 -58.41 10.64 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.479 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.3 Cg_exo -45.02 -31.85 5.97 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.613 2.209 . . . . 0.0 112.541 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -74.97 -31.92 61.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.9 mm -73.7 109.95 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.216 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -60.81 -32.14 71.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.752 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.72 116.87 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.972 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.461 ' HE2' HD13 ' A' ' 35' ' ' LEU . 23.9 t80 -121.27 136.57 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -138.53 119.92 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.91 149.9 36.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.29 119.91 8.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 p -111.43 127.93 55.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.757 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 11.9 mt -141.42 151.74 43.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 p -81.13 155.77 72.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.81 -46.5 33.24 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.575 2.183 . . . . 0.0 112.318 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -31.17 68.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -73.63 -52.67 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.757 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.8 t-105 -61.53 -44.65 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.984 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.829 0.347 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.57 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -63.39 -47.83 80.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -34.72 74.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.87 -58.06 9.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.971 HD22 HD13 ' A' ' 87' ' ' LEU . 35.9 mt -61.03 -33.45 73.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.489 ' HD2' HG12 ' A' ' 50' ' ' VAL . 40.9 ttt-85 -64.24 -60.04 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.36 -32.5 73.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -64.12 -60.01 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.2 mt -59.99 -32.11 70.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -59.34 -60.17 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.08 -31.44 61.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.019 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.9 -55.24 20.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 82' ' ' LEU . 15.4 mt -87.54 -18.18 30.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 66.96 87.03 0.13 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -123.75 177.58 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.05 -57.16 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -127.93 130.95 49.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.7 m -127.78 143.71 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -131.95 127.76 37.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.57 HG22 ' HB1' ' A' ' 32' ' ' ALA . 11.2 p -122.08 141.83 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -129.18 160.94 31.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.6 t0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.79 -179.828 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' A' ' 96' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.888 0.375 . . . . 0.0 110.839 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -138.98 145.49 39.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 50' ' ' VAL . 1.4 mtt-85 -123.96 145.15 49.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.46 HG21 ' CZ ' ' A' ' 97' ' ' PHE . 5.6 m -145.81 124.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.887 HD13 ' N ' ' A' ' 66' ' ' VAL . 1.9 tm? -112.52 139.47 48.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.887 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.2 t -137.74 126.3 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.62 120.06 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.16 162.42 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.28 -15.75 56.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.459 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -30.0 39.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.832 0.349 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.58 ' HE1' HD22 ' A' ' 43' ' ' LEU . 18.5 m-85 -75.1 -31.34 61.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.506 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.7 OUTLIER -61.41 -35.53 77.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.55 -30.08 73.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -110.65 154.46 43.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.678 0.275 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.02 -174.42 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.622 2.215 . . . . 0.0 112.2 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.28 -35.35 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -73.64 -30.83 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -74.87 -53.62 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -59.04 -36.51 75.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -36.53 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -74.92 -32.28 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.795 ' HB3' HD21 ' A' ' 43' ' ' LEU . 10.0 mt -59.0 -46.46 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.587 HG22 HD11 ' A' ' 43' ' ' LEU . 27.3 t -65.1 -46.73 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -65.92 -43.55 87.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.2 -34.48 72.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.23 -59.99 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.971 HD13 HD22 ' A' ' 35' ' ' LEU . 8.7 mt -97.13 42.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.37 96.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.207 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -75.12 -38.14 61.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.23 -29.88 60.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.443 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.2 mt -48.17 -58.42 8.04 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.462 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.6 Cg_exo -44.82 -33.31 7.12 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.562 2.175 . . . . 0.0 112.522 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -75.05 -31.41 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.2 mm -74.08 118.32 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -66.44 -31.85 72.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.719 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' A' ' 61' ' ' SER . . . -152.01 118.07 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.46 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 44.6 t80 -125.03 144.9 50.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.062 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -146.87 120.06 8.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -108.81 150.95 26.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -141.39 119.99 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.736 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 74.2 p -113.48 135.96 53.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.616 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 7.3 mt -149.97 148.58 29.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.506 HG22 ' HG2' ' A' ' 72' ' ' GLU . 30.3 p -79.91 149.86 71.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.49 -42.08 63.71 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.557 2.171 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.94 -31.51 69.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -74.99 -52.89 9.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.616 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.2 t-105 -59.8 -35.61 75.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 68.5 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -62.55 -57.86 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -30.57 70.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -59.64 -54.15 49.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.705 ' CD2' HD22 ' A' ' 87' ' ' LEU . 22.6 mt -69.29 -31.34 69.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.563 ' HD3' HG12 ' A' ' 50' ' ' VAL . 11.2 ttp180 -70.72 -51.72 25.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -63.3 -35.76 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -60.06 -59.97 4.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.64 -30.78 71.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -59.74 -54.69 43.33 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -29.94 60.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.123 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.47 -52.89 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.683 HD13 ' CE1' ' A' ' 71' ' ' PHE . 62.3 mt -99.26 -11.77 20.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.35 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 61.8 65.18 0.94 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.906 0.384 . . . . 0.0 110.82 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.4 ' CB ' HG13 ' A' ' 66' ' ' VAL . . . -83.81 168.9 15.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -85.99 -60.44 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -124.89 131.29 53.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 66' ' ' VAL . 20.7 m -137.17 143.67 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -137.98 128.54 26.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.563 HG12 ' HD3' ' A' ' 36' ' ' ARG . 11.1 p -116.3 147.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -138.78 161.82 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.823 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.787 0.327 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.526 ' HD2' HG23 ' A' ' 94' ' ' ILE . 36.1 m-85 -143.31 153.7 43.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 50' ' ' VAL . 21.4 mtp180 -137.13 132.66 34.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 98' ' ' GLU . 6.3 m -129.89 130.87 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -120.6 134.63 55.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.726 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.726 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.5 t -139.75 142.7 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.8 t -146.87 120.02 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.983 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.52 177.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.985 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.81 -18.15 31.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.361 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -52.91 -31.91 42.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.868 0.366 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.683 ' CE1' HD13 ' A' ' 43' ' ' LEU . 11.9 m-85 -75.03 -31.71 61.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.428 ' HG2' HG22 ' A' ' 103' ' ' THR . 4.0 mm-40 -60.37 -31.08 69.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.64 -35.2 88.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -113.38 159.11 36.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.299 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.22 -167.48 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.574 2.182 . . . . 0.0 112.298 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.501 HD12 ' HD2' ' A' ' 79' ' ' ARG . 5.8 tp -80.84 -30.76 35.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.667 HD12 HE22 ' A' ' 78' ' ' GLN . 0.3 OUTLIER -75.01 -32.93 61.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.667 HE22 HD12 ' A' ' 77' ' ' LEU . 1.5 mp0 -75.03 -47.68 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 83' ' ' VAL . 17.0 ptp180 -58.53 -45.92 87.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -65.14 -35.45 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -70.1 -41.87 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.07 -31.67 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 79' ' ' ARG . 21.5 t -67.4 -58.51 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -33.75 76.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.12 -37.93 72.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -56.55 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.705 HD22 ' CD2' ' A' ' 35' ' ' LEU . 3.6 mt -101.21 41.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.55 89.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -75.12 -39.19 60.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -29.95 60.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.394 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.423 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -47.22 -58.33 7.49 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.572 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.423 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.8 Cg_exo -44.95 -32.77 6.77 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.64 2.227 . . . . 0.0 112.595 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -75.03 -31.22 61.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.526 HG23 ' HD2' ' A' ' 62' ' ' PHE . 23.5 mm -74.3 118.26 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -66.01 -31.68 72.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -153.39 117.25 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.469 ' HE2' HD13 ' A' ' 35' ' ' LEU . 18.3 t80 -125.2 140.7 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.98 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 64' ' ' VAL . 1.9 tp10 -127.33 125.57 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.763 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -117.82 120.96 39.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.455 ' HB3' HD22 ' A' ' 65' ' ' LEU . 3.0 tmtm? -129.59 119.97 24.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.806 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.413 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 22.1 p -123.28 141.63 51.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.524 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 2.0 mt -149.93 171.51 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.428 HG22 ' HG2' ' A' ' 72' ' ' GLU . 18.0 p -91.25 150.67 41.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.94 -45.51 40.46 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.549 2.166 . . . . 0.0 112.276 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.93 -46.35 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.15 -52.35 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.524 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -60.97 -47.05 88.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.764 0.316 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.439 ' O ' HG11 ' A' ' 50' ' ' VAL . . . -68.04 -35.41 78.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.98 -31.3 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -60.08 -50.69 72.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.765 HD22 HD13 ' A' ' 87' ' ' LEU . 19.6 mt -71.38 -30.95 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -69.51 -52.65 24.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.61 -31.23 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -68.37 -60.02 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.28 -44.42 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.518 ' HB2' HG21 ' A' ' 48' ' ' VAL . 15.1 ttt-85 -58.1 -46.05 86.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -75.31 -40.44 58.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.89 -60.0 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.646 HD22 ' CE1' ' A' ' 71' ' ' PHE . 4.9 mt -72.39 -22.84 61.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.21 72.52 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.739 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.98 169.68 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -78.16 -59.94 2.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -135.1 130.03 34.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.518 HG21 ' HB2' ' A' ' 40' ' ' ARG . 31.2 m -125.9 147.93 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -137.07 119.98 16.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.439 HG11 ' O ' ' A' ' 32' ' ' ALA . 12.7 p -107.97 155.85 8.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' N ' HG22 ' A' ' 50' ' ' VAL . 4.8 tp10 -135.55 162.82 31.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.865 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -138.76 125.88 21.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -109.72 120.02 41.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.6 m -110.48 129.97 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.203 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.661 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -120.29 138.82 53.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.661 ' N ' HD13 ' A' ' 65' ' ' LEU . 20.0 t -140.78 128.67 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.2 t -128.13 119.98 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.61 -176.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.01 -20.2 16.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.384 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -30.94 56.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.985 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.646 ' CE1' HD22 ' A' ' 43' ' ' LEU . 2.7 m-85 -75.06 -30.74 61.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.626 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.3 OUTLIER -61.48 -34.1 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.1 -30.02 76.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.819 ' HD2' HD11 ' A' ' 82' ' ' LEU . 25.3 mttm -100.47 155.39 36.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.705 0.288 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.4 163.93 30.37 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.62 2.213 . . . . 0.0 112.237 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.01 -30.84 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -31.46 61.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -75.02 -31.02 61.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.9 mtm-85 -59.8 -58.09 10.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -62.15 -45.99 90.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -60.51 -33.5 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.819 HD11 ' HD2' ' A' ' 74' ' ' LYS . 11.1 mt -60.71 -42.04 96.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.5 t -75.05 -33.14 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -71.38 -38.38 71.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.27 -43.67 98.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.977 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -59.37 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.765 HD13 HD22 ' A' ' 35' ' ' LEU . 9.4 mt -97.78 38.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.27 76.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.12 -34.14 61.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.29 -29.89 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.309 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.422 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.1 mt -49.71 -58.07 10.34 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.559 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.422 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.1 Cg_exo -44.95 -31.58 5.53 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.56 2.173 . . . . 0.0 112.655 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -75.01 -31.62 61.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.2 mm -74.67 116.43 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.16 -34.36 73.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.77 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 116.89 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.952 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.57 ' HE1' HD13 ' A' ' 35' ' ' LEU . 32.4 t80 -120.91 143.06 49.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.977 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.53 119.95 13.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.814 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -118.3 144.8 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.32 119.95 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.2 p -112.92 137.1 51.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.466 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 1.7 mt -149.92 173.34 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.626 HG22 ' HG2' ' A' ' 72' ' ' GLU . 60.9 p -93.01 154.34 41.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 103' ' ' THR . 36.5 Cg_endo -65.54 -29.97 52.35 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.57 2.18 . . . . 0.0 112.212 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.45 -36.23 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -75.13 -45.98 37.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.65 ' CH2' HD11 ' A' ' 65' ' ' LEU . 2.3 t-105 -61.11 -52.41 65.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.978 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.774 0.321 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.06 97.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -31.3 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -62.09 -51.15 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.791 HD22 HD13 ' A' ' 87' ' ' LEU . 47.1 mt -68.73 -31.31 70.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.427 ' NE ' HG23 ' A' ' 48' ' ' VAL . 14.8 ttp180 -73.96 -51.09 17.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.14 -41.08 91.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -60.3 -53.21 60.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.39 -42.71 99.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -59.89 -46.45 89.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -75.26 -46.7 31.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.44 -48.87 79.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.587 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 13.1 mt -83.58 -24.74 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 64.83 47.27 2.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.23 -175.8 4.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.049 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -96.32 -53.46 3.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -135.51 132.59 37.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.427 HG23 ' NE ' ' A' ' 36' ' ' ARG . 15.0 m -129.35 152.34 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -140.46 125.46 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.3 p -114.0 157.38 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 50' ' ' VAL . 4.6 tp10 -138.25 164.81 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.818 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 76.5 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.746 0.308 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -149.99 131.4 14.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -103.2 135.9 43.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -131.32 133.15 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.759 HD13 ' N ' ' A' ' 66' ' ' VAL . 3.1 tm? -131.2 137.75 49.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.79 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.759 ' N ' HD13 ' A' ' 65' ' ' LEU . 19.4 t -131.63 135.1 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -130.58 122.44 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 t -175.12 -179.74 1.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.016 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.12 -18.73 17.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.361 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -29.96 59.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.827 0.346 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.587 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 50.0 m-85 -75.13 -30.85 60.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.42 -31.25 69.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.27 -29.94 73.4 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.568 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' CD ' HD11 ' A' ' 82' ' ' LEU . 6.0 mttp -104.63 154.29 38.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.67 0.271 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.9 160.48 33.26 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.571 2.181 . . . . 0.0 112.227 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.83 -36.63 72.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -33.63 76.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -75.0 -30.09 61.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.617 ' HB3' HG21 ' A' ' 101' ' ' THR . 84.2 mtt180 -58.95 -56.93 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -63.99 -44.68 91.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -59.68 -39.16 83.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.416 HD11 ' CD ' ' A' ' 74' ' ' LYS . 4.5 mt -60.52 -46.64 89.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 79' ' ' ARG . 21.5 t -59.46 -40.14 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.171 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -65.53 -31.19 72.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -66.76 -37.36 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.23 -60.09 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.791 HD13 HD22 ' A' ' 35' ' ' LEU . 9.3 mt -102.85 44.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.71 -48.77 75.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -75.04 -34.33 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.145 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -75.19 -30.0 60.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.37 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.417 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -50.2 -58.0 11.04 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.501 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.9 Cg_exo -45.02 -32.24 6.37 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.527 2.152 . . . . 0.0 112.544 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -75.06 -31.89 61.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.1 mm -74.58 116.73 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -60.56 -33.83 73.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.974 0.416 . . . . 0.0 110.641 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.71 116.5 5.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.862 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -122.25 142.53 50.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.053 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -143.35 119.92 11.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -123.36 149.75 44.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.02 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -142.73 145.3 33.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.617 HG21 ' HB3' ' A' ' 79' ' ' ARG . 32.0 p -124.31 133.34 53.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.492 ' CD2' ' NE2' ' A' ' 106' ' ' GLN . 1.8 mt -149.84 159.87 44.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.753 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.52 161.25 65.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.4 -40.87 5.31 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.53 2.154 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -60.28 -34.81 74.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.492 ' NE2' ' CD2' ' A' ' 102' ' ' LEU . 33.2 mt-30 -74.73 -51.02 15.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.434 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 3.1 t-105 -60.37 -50.67 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.0 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.987 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.897 0.38 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.84 -42.56 85.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.175 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -30.64 70.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -59.34 -55.73 31.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.895 HD22 HD22 ' A' ' 87' ' ' LEU . 34.2 mt -64.87 -31.54 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -66.92 -58.7 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -59.1 -31.03 68.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -60.55 -59.32 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.857 HD22 HG13 ' A' ' 83' ' ' VAL . 3.8 mt -67.49 -31.43 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -55.86 28.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -32.8 61.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.08 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.16 -53.76 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.535 HD13 ' CE1' ' A' ' 71' ' ' PHE . 6.5 mt -89.33 -16.72 30.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 63.17 77.98 0.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.908 0.385 . . . . 0.0 110.779 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.11 174.04 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.074 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -86.57 -58.39 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -132.16 127.43 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.696 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.3 m -128.91 143.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.07 144.52 51.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.7 p -126.23 156.03 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' N ' HG22 ' A' ' 50' ' ' VAL . 2.7 mm-40 -132.37 172.77 12.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.769 -179.81 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.624 ' OG ' ' HB3' ' A' ' 96' ' ' ALA . 67.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -150.01 152.2 34.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -118.76 127.05 53.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.438 ' CG2' ' CZ ' ' A' ' 97' ' ' PHE . 31.3 m -103.7 137.7 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.343 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.8 tm? -132.62 132.64 42.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.745 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.7 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.6 t -138.2 144.29 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.8 t -135.43 119.9 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.029 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.79 -175.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -96.92 0.62 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.529 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -59.46 -42.17 91.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CE1' HD13 ' A' ' 43' ' ' LEU . 41.1 m-85 -75.01 -30.74 61.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HG2' HG22 ' A' ' 103' ' ' THR . 2.4 mm-40 -59.54 -45.23 92.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.37 93.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -90.49 156.7 45.3 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.813 0.339 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 179.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.571 2.181 . . . . 0.0 112.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -77.57 -44.23 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.596 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -75.1 -30.95 61.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -62.38 -48.71 78.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 83' ' ' VAL . 5.5 ptp180 -59.51 -38.98 82.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -70.29 -39.95 74.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -73.22 -32.52 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 82' ' ' LEU . 11.0 mt -59.29 -44.82 92.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.857 HG13 HD22 ' A' ' 39' ' ' LEU . 25.7 t -64.52 -45.59 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.542 ' ND2' HD11 ' A' ' 91' ' ' LEU . 1.9 m120 -65.61 -39.08 91.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.9 -36.6 77.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.1 t -61.23 -56.82 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.895 HD22 HD22 ' A' ' 35' ' ' LEU . 4.3 mt -97.34 39.67 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.88 95.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.214 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.14 -37.83 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.27 -29.91 60.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.431 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.542 HD11 ' ND2' ' A' ' 84' ' ' ASN . 6.2 mt -48.5 -58.11 9.1 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.603 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.423 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.0 Cg_exo -44.94 -32.96 6.94 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.569 2.18 . . . . 0.0 112.589 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -75.01 -30.87 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.43 127.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -67.72 -37.03 81.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.399 . . . . 0.0 110.612 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.624 ' HB3' ' OG ' ' A' ' 61' ' ' SER . . . -152.32 117.11 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.438 ' CZ ' ' CG2' ' A' ' 64' ' ' VAL . 33.1 t80 -121.02 135.24 55.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.017 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -124.07 136.03 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.801 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -119.36 121.39 39.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.64 ' O ' HD22 ' A' ' 65' ' ' LEU . 13.9 tptt -133.84 120.98 21.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.859 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 20.1 p -119.04 148.95 42.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.763 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 9.8 mt -150.07 152.53 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.471 HG22 ' HG2' ' A' ' 72' ' ' GLU . 73.0 p -77.67 152.78 80.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.38 -45.28 40.7 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.528 2.152 . . . . 0.0 112.313 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.93 -40.65 89.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -61.71 -52.34 64.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.763 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.5 t-105 -63.13 -49.42 74.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.849 0.356 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.68 88.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -31.84 73.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -67.27 -55.49 13.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.819 HD22 HD13 ' A' ' 87' ' ' LEU . 39.4 mt -64.84 -30.86 71.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -69.36 -60.03 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -59.89 -31.16 69.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.68 ' HE2' HD23 ' A' ' 87' ' ' LEU . 21.2 tttt -64.73 -60.12 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.68 ' HB3' HD12 ' A' ' 43' ' ' LEU . 55.7 mt -58.91 -31.52 68.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -60.87 -60.07 4.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -75.19 -39.66 59.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.058 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -59.01 -52.93 63.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' ' 39' ' ' LEU . 7.1 mt -87.44 -18.92 28.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 64.37 79.85 0.25 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.836 0.35 . . . . 0.0 110.829 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.57 161.57 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.47 -44.98 41.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -148.16 138.95 23.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.629 HG12 ' HA ' ' A' ' 66' ' ' VAL . 30.9 m -136.12 156.51 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -140.0 120.05 13.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.817 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -107.1 148.01 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.14 158.98 43.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.791 -179.796 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 96' ' ' ALA . 1.3 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.795 0.331 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -149.99 164.04 36.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -143.25 133.35 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.417 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 31.0 m -124.24 130.83 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.843 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.1 tm? -123.49 138.38 54.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.843 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.3 t -140.01 137.78 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.8 t -137.29 120.0 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.06 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.42 175.28 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.039 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.02 -21.44 21.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.332 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -30.24 52.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.544 ' HE2' HG11 ' A' ' 66' ' ' VAL . 11.3 m-85 -75.09 -30.73 60.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.492 ' HG2' HG22 ' A' ' 103' ' ' THR . 2.8 mm-40 -61.47 -39.38 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.08 -52.25 53.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.666 ' HD3' HD11 ' A' ' 82' ' ' LEU . 20.8 mttt -74.37 155.64 87.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.64 0.257 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.72 167.21 21.75 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.584 2.189 . . . . 0.0 112.219 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.8 tp -59.21 -42.33 90.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.468 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -62.28 -31.07 71.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.877 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -74.83 -35.75 62.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -60.29 -53.49 57.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -64.86 -36.22 83.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -73.73 -32.06 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.666 HD11 ' HD3' ' A' ' 74' ' ' LYS . 10.9 mt -60.17 -40.42 89.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.7 t -74.94 -35.43 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -72.33 -45.89 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -61.07 -34.36 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.9 t -60.29 -57.81 11.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.819 HD13 HD22 ' A' ' 35' ' ' LEU . 9.8 mt -103.62 47.62 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.784 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.58 94.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.215 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.16 -38.57 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.043 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -75.23 -29.95 60.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.453 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.6 mt -47.79 -58.51 7.52 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.533 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.429 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.9 Cg_exo -44.88 -33.26 7.19 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.583 2.188 . . . . 0.0 112.589 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -74.89 -31.64 61.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 26.6 mm -73.62 110.54 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -60.44 -33.2 72.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.732 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.4 ' HB3' ' CB ' ' A' ' 61' ' ' SER . . . -149.44 116.63 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.907 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.417 ' HZ ' HG11 ' A' ' 64' ' ' VAL . 26.5 t80 -116.2 137.2 52.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -132.14 120.0 21.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.773 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.84 148.4 42.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 119.98 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.7 p -105.12 140.92 37.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.993 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.55 HD22 ' CB ' ' A' ' 106' ' ' GLN . 3.9 mt -150.01 156.89 42.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.492 HG22 ' HG2' ' A' ' 72' ' ' GLU . 24.0 p -87.24 153.73 54.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.6 -45.79 37.79 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.605 2.203 . . . . 0.0 112.318 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.94 -31.99 70.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.55 ' CB ' HD22 ' A' ' 102' ' ' LEU . 10.0 mm-40 -72.11 -43.31 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.461 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.2 t-105 -75.0 -43.01 56.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.037 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.824 0.345 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' HG21 ' A' ' 50' ' ' VAL . . . -59.68 -44.6 93.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.23 -32.04 73.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -60.62 -53.48 57.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.625 HD13 ' HE2' ' A' ' 97' ' ' PHE . 23.9 mt -71.14 -30.57 66.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HD2' HG12 ' A' ' 50' ' ' VAL . 5.7 ttt180 -67.38 -59.96 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.91 -31.98 71.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.486 ' HD3' HD21 ' A' ' 87' ' ' LEU . 24.5 tttp -67.38 -55.77 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.12 -43.88 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -58.78 -48.53 80.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -75.24 -45.86 37.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.409 ' CG ' ' HG ' ' A' ' 86' ' ' CYS . 24.0 t70 -59.51 -60.01 4.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.494 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 40.2 mt -72.52 -24.2 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 64.4 76.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.15 174.92 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -88.71 -57.85 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -131.26 131.0 43.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.713 HG12 ' HA ' ' A' ' 66' ' ' VAL . 30.6 m -133.62 162.32 39.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.03 120.01 7.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 32' ' ' ALA . 11.3 p -107.23 156.02 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' N ' HG22 ' A' ' 50' ' ' VAL . 9.0 tp10 -143.33 159.98 41.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.764 -179.83 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.794 0.33 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -114.48 144.48 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -133.28 121.59 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.778 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.463 HG22 ' CE1' ' A' ' 97' ' ' PHE . 29.8 m -119.33 139.7 45.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.729 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -120.59 136.03 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.729 ' N ' HD13 ' A' ' 65' ' ' LEU . 18.1 t -133.95 137.31 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.212 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.0 t -141.92 119.91 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.22 177.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.81 -18.13 24.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.399 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -32.39 57.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.841 0.353 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.494 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 2.7 m-85 -75.07 -30.86 61.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HG2' HG22 ' A' ' 103' ' ' THR . 2.8 mm-40 -60.01 -32.02 70.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.71 96.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.425 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.708 ' HD2' HD11 ' A' ' 82' ' ' LEU . 86.6 mttt -91.45 160.14 37.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.659 0.266 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.55 167.85 17.94 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.541 2.161 . . . . 0.0 112.241 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.18 -45.91 89.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.03 -30.96 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -75.07 -30.38 60.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -59.07 -57.79 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -62.68 -37.2 85.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -31.28 70.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.708 HD11 ' HD2' ' A' ' 74' ' ' LYS . 3.2 mt -62.15 -49.14 77.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.483 ' HB ' ' NE2' ' A' ' 99' ' ' GLN . 29.0 t -62.0 -32.43 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.624 ' HA ' HD11 ' A' ' 91' ' ' LEU . 38.8 m-20 -71.82 -40.89 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.75 -33.34 75.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.409 ' HG ' ' CG ' ' A' ' 42' ' ' ASP . 2.4 t -60.19 -59.99 4.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.611 HD13 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -108.14 45.68 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.69 -31.41 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -75.25 -49.05 20.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -75.3 -29.73 60.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.345 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' A' ' 84' ' ' ASN . 5.7 mt -44.77 -60.2 3.3 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 91' ' ' LEU . 7.9 Cg_endo -50.67 -29.86 26.93 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.424 2.083 . . . . 0.0 112.282 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -74.13 -29.96 62.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.79 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.6 mm -71.25 118.04 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -65.05 -31.33 72.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -155.09 116.73 4.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.0 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.625 ' HE2' HD13 ' A' ' 35' ' ' LEU . 8.3 t80 -126.12 146.32 49.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.994 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.424 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 0.4 OUTLIER -139.87 120.02 13.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.777 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.483 ' NE2' ' HB ' ' A' ' 83' ' ' VAL . 2.0 pt20 -116.3 136.4 53.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.423 ' HB2' HD22 ' A' ' 65' ' ' LEU . 6.1 mtmt -130.04 119.99 24.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.819 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.1 p -115.15 134.32 55.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.481 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 1.7 mt -149.97 167.37 26.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.471 HG22 ' HG2' ' A' ' 72' ' ' GLU . 81.5 p -87.13 154.82 55.03 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 103' ' ' THR . 36.2 Cg_endo -65.23 -30.83 54.52 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.52 2.147 . . . . 0.0 112.187 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.42 -34.79 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -74.95 -49.04 21.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.622 ' CH2' HD11 ' A' ' 65' ' ' LEU . 2.0 t-105 -59.54 -43.53 93.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.49 ' O ' HG21 ' A' ' 50' ' ' VAL . . . -68.5 -56.8 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.93 -31.42 69.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.24 -58.0 10.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.101 HD22 HD13 ' A' ' 87' ' ' LEU . 36.5 mt -61.8 -31.08 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.611 ' NE ' HG23 ' A' ' 48' ' ' VAL . 5.1 ttp180 -71.29 -59.17 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.74 -30.83 69.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -69.96 -60.04 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.542 HD22 HG13 ' A' ' 83' ' ' VAL . 31.5 mt -61.07 -38.31 85.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -58.13 -51.42 69.79 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -75.33 -40.6 58.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.27 -60.04 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mt -76.82 -20.91 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 64.07 80.05 0.24 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.55 168.62 9.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.66 -56.4 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -132.25 132.28 42.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.611 HG23 ' NE ' ' A' ' 36' ' ' ARG . 15.9 m -126.67 145.77 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -139.35 120.02 14.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.813 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 32' ' ' ALA . 12.2 p -107.63 150.84 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -132.9 162.91 30.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.794 -179.796 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.885 0.374 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -150.03 151.11 32.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 ttp85 -123.91 128.99 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.418 HG21 ' CE1' ' A' ' 97' ' ' PHE . 13.3 m -120.42 130.09 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -122.88 139.42 54.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.785 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.5 t -143.16 132.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.1 t -132.3 119.99 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.005 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.92 172.68 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.83 -19.63 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.285 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.61 -31.04 56.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.058 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 2.7 m-85 -74.96 -31.18 61.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -41.28 93.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.04 -30.08 66.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -104.0 155.38 37.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.701 0.286 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.49 -173.0 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.539 2.159 . . . . 0.0 112.261 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 76' ' ' LEU . 6.0 tt -79.3 -31.78 43.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -75.03 -31.56 61.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.01 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -72.71 -48.85 35.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 4.3 ptp180 -59.64 -38.7 82.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -50.04 45.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -64.6 -31.11 72.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.2 -51.03 71.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.542 HG13 HD22 ' A' ' 39' ' ' LEU . 27.4 t -62.43 -36.2 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.33 -40.01 74.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -60.3 -38.18 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.14 -58.43 8.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.101 HD13 HD22 ' A' ' 35' ' ' LEU . 4.9 mt -103.82 54.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.62 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.192 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -75.04 -33.39 61.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.019 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -29.9 60.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.345 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.1 mt -50.27 -58.5 9.51 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.492 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.1 Cg_exo -45.0 -32.14 6.2 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.566 2.177 . . . . 0.0 112.607 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -74.99 -31.75 61.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.7 mm -73.76 112.33 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -60.22 -36.41 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.718 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.4 116.69 5.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.507 ' HE2' HD13 ' A' ' 35' ' ' LEU . 24.3 t80 -115.71 144.44 43.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -145.16 120.02 9.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.09 154.84 34.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.64 124.58 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.0 p -113.98 136.05 53.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.657 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.2 mt -146.1 160.37 42.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.8 p -82.34 148.59 59.67 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.5 -43.1 57.25 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.577 2.185 . . . . 0.0 112.266 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.7 -45.38 92.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.448 ' CD ' HD22 ' A' ' 102' ' ' LEU . 49.2 mt-30 -60.29 -49.9 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.657 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -62.67 -30.02 71.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.0 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.815 0.341 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.99 -55.57 33.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.48 -30.0 70.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.025 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -58.92 -49.51 77.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.014 HD22 HD11 ' A' ' 87' ' ' LEU . 23.1 mt -71.39 -31.21 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.546 ' NE ' HG23 ' A' ' 48' ' ' VAL . 11.3 ttp180 -67.58 -56.29 10.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.28 -31.19 70.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.026 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -59.82 -59.96 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.68 HD21 HG13 ' A' ' 83' ' ' VAL . 76.8 mt -62.2 -30.04 70.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -58.98 5.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.331 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.23 -29.97 60.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.189 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.92 -49.51 75.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.03 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.505 HD13 ' CZ ' ' A' ' 71' ' ' PHE . 4.8 mt -114.13 9.5 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.424 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 52.5 95.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.768 0.318 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.553 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -115.15 154.33 29.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -81.94 -41.36 20.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -146.71 127.0 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.3 m -128.74 155.41 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.06 133.06 16.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 51' ' ' GLU . 10.7 p -110.72 158.37 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 50' ' ' VAL . 17.1 tp10 -136.09 163.21 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.006 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.716 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.764 0.316 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -150.09 149.59 30.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -123.51 119.97 31.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.613 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.535 ' HB ' HD12 ' A' ' 39' ' ' LEU . 30.5 m -101.17 124.77 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.278 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.4 tm? -116.44 138.0 51.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.737 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.83 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.4 t -144.99 136.89 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.263 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.6 t -127.14 119.97 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.002 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -176.97 178.14 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -92.14 -17.5 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.44 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -33.19 26.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.785 0.326 . . . . 0.0 111.103 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.505 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 40.7 m-85 -75.06 -31.15 61.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.551 ' HG2' HG22 ' A' ' 103' ' ' THR . 3.8 mm-40 -62.97 -30.83 71.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.51 -49.46 37.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -85.61 148.04 48.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.679 0.276 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.63 -169.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.55 2.166 . . . . 0.0 112.332 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.694 HD23 ' O ' ' A' ' 76' ' ' LEU . 6.3 tt -83.01 -37.41 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 78' ' ' GLN . 4.1 pp -75.04 -30.57 61.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.996 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.408 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -71.6 -44.41 64.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -59.32 -40.13 85.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.838 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -71.79 -38.02 70.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 -69.28 -31.4 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.2 -49.71 73.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.68 HG13 HD21 ' A' ' 39' ' ' LEU . 21.9 t -59.92 -33.89 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 95.5 m-20 -70.93 -29.93 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.97 -60.07 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.0 p -63.15 -40.02 96.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.014 HD11 HD22 ' A' ' 35' ' ' LEU . 2.0 mm? -98.54 29.78 3.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 84' ' ' ASN . . . -71.61 -45.54 61.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.39 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.09 -38.0 61.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.08 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.657 ' HB2' HD13 ' A' ' 87' ' ' LEU . 1.4 mp0 -75.4 -30.0 59.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.413 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 91' ' ' LEU . 3.3 mt -48.19 -57.53 10.27 Favored Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.685 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 81.8 Cg_exo -44.7 -33.85 7.49 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.53 2.153 . . . . 0.0 112.579 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -75.07 -31.0 61.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.704 HG21 ' HD1' ' A' ' 97' ' ' PHE . 22.4 mm -75.69 110.46 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.27 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -32.33 72.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.471 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -149.18 116.24 6.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.801 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.704 ' HD1' HG21 ' A' ' 94' ' ' ILE . 8.5 t80 -117.45 138.64 51.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.039 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.63 119.97 14.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.705 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -109.07 151.25 26.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -147.27 119.99 8.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.806 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 p -114.03 132.03 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.668 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 6.6 mt -141.4 145.62 35.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.551 HG22 ' HG2' ' A' ' 72' ' ' GLU . 64.7 p -74.68 154.34 87.35 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.17 -47.8 25.56 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.549 2.166 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.02 -41.05 86.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.69 -41.94 96.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.668 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.1 t-105 -73.57 -37.41 65.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.798 0.333 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.36 -53.83 25.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.191 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -30.56 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -59.73 -55.04 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.969 HD22 HD13 ' A' ' 87' ' ' LEU . 40.6 mt -65.28 -31.28 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.403 ' HD3' HG12 ' A' ' 50' ' ' VAL . 11.9 ttp180 -68.09 -60.0 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.44 -40.48 96.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -60.04 -56.05 26.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.609 ' CD1' HG21 ' A' ' 64' ' ' VAL . 61.7 mt -60.17 -41.35 92.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.612 ' HB2' HG21 ' A' ' 48' ' ' VAL . 27.8 ttp180 -59.01 -45.25 91.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -75.32 -46.35 33.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.03 -49.74 76.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -80.9 -21.22 40.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 62.55 43.66 7.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.94 0.4 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.69 164.02 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.44 -61.15 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -130.31 147.75 52.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.612 HG21 ' HB2' ' A' ' 40' ' ' ARG . 30.8 m -145.83 159.73 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.195 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.01 129.2 12.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.491 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.2 p -108.9 158.46 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' N ' HG22 ' A' ' 50' ' ' VAL . 18.3 tp10 -147.29 163.69 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.766 -179.794 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.87 0.366 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -150.02 151.64 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.017 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -126.24 149.04 49.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.802 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.609 HG21 ' CD1' ' A' ' 39' ' ' LEU . 30.3 m -141.75 154.15 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.248 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -116.6 137.05 52.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.778 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.665 ' N ' HD13 ' A' ' 65' ' ' LEU . 19.3 t -133.19 125.76 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.416 HG23 HD12 ' A' ' 65' ' ' LEU . 21.8 t -133.52 119.96 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.92 165.09 3.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.35 -19.14 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.422 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -33.54 54.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.851 0.358 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.413 ' CD2' ' HB ' ' A' ' 101' ' ' THR . 2.7 m-85 -74.9 -30.9 61.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.986 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.765 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.4 OUTLIER -61.01 -31.05 70.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.91 -34.08 76.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.482 ' HD2' HD11 ' A' ' 82' ' ' LEU . 68.1 mttm -101.3 152.85 38.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.676 0.274 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.52 170.29 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.579 2.186 . . . . 0.0 112.276 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.93 -49.77 66.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 78' ' ' GLN . 4.0 pp -64.71 -31.49 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.481 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.3 tp-100 -65.48 -30.03 70.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -59.25 -54.95 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -60.36 -35.85 76.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -40.15 92.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.482 HD11 ' HD2' ' A' ' 74' ' ' LYS . 11.6 mt -63.68 -46.17 86.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.73 -37.93 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -66.96 -35.43 79.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.15 -37.58 87.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.06 -60.0 4.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.969 HD13 HD22 ' A' ' 35' ' ' LEU . 8.4 mt -99.58 47.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.19 -53.11 61.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.2 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -75.07 -32.57 61.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.2 -29.87 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.386 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.1 mt -51.41 -58.03 12.17 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.527 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.421 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.1 Cg_exo -44.96 -31.9 5.89 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.654 2.236 . . . . 0.0 112.541 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -74.98 -31.78 61.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.3 mm -74.99 117.12 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -63.36 -35.79 81.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.677 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.54 116.48 4.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.449 ' HE1' HD13 ' A' ' 35' ' ' LEU . 33.5 t80 -119.02 142.64 47.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.043 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -139.82 119.93 13.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.815 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -119.59 130.54 55.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.969 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.613 ' HB2' HD22 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -117.2 123.43 46.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.413 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 18.8 p -120.19 132.66 55.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.682 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 4.7 mt -144.94 165.91 26.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.765 HG22 ' HG2' ' A' ' 72' ' ' GLU . 16.7 p -79.56 147.6 67.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.19 -47.47 26.81 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.56 2.174 . . . . 0.0 112.262 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.91 -40.81 90.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.413 ' OE1' HD22 ' A' ' 102' ' ' LEU . 2.8 mt-30 -61.33 -55.01 36.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.682 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.9 t-105 -59.06 -34.46 71.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.2 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.032 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.798 0.333 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.79 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -59.97 -45.04 93.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -60.7 -31.09 70.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -61.29 -48.45 81.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 87' ' ' LEU . 46.8 mt -68.25 -36.94 80.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HD3' HG12 ' A' ' 50' ' ' VAL . 36.9 ttp180 -69.18 -53.6 19.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.22 -30.71 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -63.8 -60.06 3.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.686 HD21 HD23 ' A' ' 87' ' ' LEU . 3.5 mt -66.84 -30.0 70.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD3' HG21 ' A' ' 48' ' ' VAL . 20.5 ttp85 -57.56 -55.48 34.26 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.24 -30.61 60.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.065 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -57.02 10.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.62 -14.73 39.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.265 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 61.22 59.37 1.98 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.013 0.435 . . . . 0.0 110.807 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.85 174.27 11.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.152 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -94.01 -52.5 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -125.48 134.49 52.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.454 HG21 ' HD3' ' A' ' 40' ' ' ARG . 31.5 m -131.79 145.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -143.44 124.82 14.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.79 HG22 ' HB1' ' A' ' 32' ' ' ALA . 11.5 p -127.04 145.69 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -144.26 165.09 28.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t0 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.743 -179.858 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.495 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 2.2 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.811 0.338 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -150.06 150.21 31.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -127.72 140.57 51.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.768 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.36 146.87 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.601 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -133.52 133.94 42.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.833 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.601 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.4 t -134.85 128.0 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.234 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 t -134.33 119.87 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.89 179.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.59 -16.74 41.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.413 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -51.72 -33.42 34.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.82 0.343 . . . . 0.0 111.062 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.437 ' CD2' ' HB ' ' A' ' 101' ' ' THR . 23.2 m-85 -74.9 -30.66 61.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.62 -31.61 72.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.42 -49.77 74.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.414 ' HE3' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -97.06 159.64 30.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.708 0.289 . . . . 0.0 110.958 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.38 -175.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.178 . . . . 0.0 112.334 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tp -79.81 -44.31 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 78' ' ' GLN . 4.1 pp -75.06 -31.08 61.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.411 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -66.9 -48.07 69.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -59.58 -38.66 81.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -62.05 -39.24 91.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -70.53 -30.77 67.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.414 HD11 ' HE3' ' A' ' 74' ' ' LYS . 11.4 mt -58.93 -45.24 90.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.627 HG13 HD22 ' A' ' 39' ' ' LEU . 21.3 t -67.59 -36.49 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -74.92 -37.34 62.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.73 -51.12 71.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.0 t -60.07 -39.33 85.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.686 HD23 HD21 ' A' ' 39' ' ' LEU . 3.0 mm? -98.12 26.35 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.87 -43.22 96.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.391 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.14 -40.82 59.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.207 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -75.33 -32.53 60.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.689 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.7 mt -45.34 -57.02 8.16 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.749 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -44.72 -35.99 10.0 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.584 2.19 . . . . 0.0 112.501 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -75.12 -31.02 61.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.468 HG21 ' HD2' ' A' ' 97' ' ' PHE . 23.1 mm -74.79 113.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.287 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -61.18 -33.7 73.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.007 0.432 . . . . 0.0 110.462 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 61' ' ' SER . . . -150.04 116.27 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.749 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.533 ' HE2' HD13 ' A' ' 35' ' ' LEU . 11.4 t80 -116.81 120.66 39.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -128.95 119.95 25.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.717 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.37 141.52 51.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.33 120.03 27.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.789 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.437 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 73.4 p -109.16 135.14 50.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.768 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 6.6 mt -149.69 163.72 37.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.1 p -80.23 153.14 74.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.27 -53.98 5.99 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.53 2.154 . . . . 0.0 112.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.46 -36.31 75.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -44.38 97.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.768 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -74.87 -34.93 62.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.05 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 ttm . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.837 0.351 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -143.77 35.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.76 -61.82 3.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.52 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.93 122.72 27.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -100.74 167.62 10.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -164.88 -44.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -129.76 111.57 12.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -46.06 32.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.19 -179.64 5.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -93.99 152.03 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -63.44 157.85 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 m -139.41 164.01 31.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -156.43 175.59 13.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.83 121.71 1.98 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.19 108.11 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 111.068 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 m -68.9 146.48 52.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -101.79 117.05 34.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 m -142.27 148.93 49.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.87 134.31 25.36 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.602 2.201 . . . . 0.0 112.273 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -176.2 -68.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.83 153.73 22.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.15 -169.99 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.983 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -90.79 170.36 10.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.86 -155.96 7.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.48 -77.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.703 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -161.8 29.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.9 m -59.44 -30.33 68.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.969 0.414 . . . . 0.0 110.671 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.9 tpp -110.35 -26.21 9.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.944 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.703 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 9.0 mt-10 -100.26 131.03 46.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 30' ' ' LEU . 9.5 mp 59.31 95.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -150.79 156.88 42.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.684 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -59.97 -47.03 87.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -31.4 72.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -63.08 -52.27 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.672 HD22 HD13 ' A' ' 87' ' ' LEU . 38.4 mt -71.79 -31.34 66.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HD3' HG12 ' A' ' 50' ' ' VAL . 6.2 ttp180 -67.94 -57.73 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.07 -39.93 87.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -60.41 -50.29 74.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.74 -39.58 87.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -59.84 -50.66 72.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -38.95 60.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.7 -50.99 64.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.535 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 19.4 mt -84.19 -21.32 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 63.3 77.88 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.45 -176.66 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -100.86 -54.74 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -129.62 131.19 46.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.409 HG12 HG22 ' A' ' 66' ' ' VAL . 22.3 m -135.83 147.94 28.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -140.32 120.13 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.684 ' CG2' ' HB1' ' A' ' 32' ' ' ALA . 11.4 p -107.52 149.81 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -142.65 162.93 34.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -150.1 148.28 28.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.818 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.2 p -97.91 38.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 m 61.25 112.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.0 mt -60.4 -34.25 73.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -70.07 78.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -176.8 164.78 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 39.3 m -60.67 -42.21 96.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.79 142.35 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.415 HG23 ' CB ' ' A' ' 95' ' ' HIS . 2.7 t -133.65 127.15 32.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.6 p -140.33 152.23 45.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -131.55 130.08 41.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -111.73 130.29 55.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.8 m -127.88 136.05 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.745 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -125.01 142.08 51.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.745 ' N ' HD13 ' A' ' 65' ' ' LEU . 22.4 t -143.99 130.78 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -126.42 119.89 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.17 -176.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -103.01 -17.21 15.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.369 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.03 -30.28 47.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.908 0.385 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 9.1 m-85 -75.04 -31.58 61.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -41.53 93.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.84 -32.03 69.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.545 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.653 ' HD3' HD11 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -100.69 151.32 37.56 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.26 161.38 2.68 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.591 2.194 . . . . 0.0 112.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.29 -48.32 82.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER -66.76 -30.79 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -66.53 -31.4 72.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -62.48 -56.66 15.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -61.58 -43.52 98.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -31.46 72.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.02 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.653 HD11 ' HD3' ' A' ' 74' ' ' LYS . 5.7 mt -64.21 -47.87 78.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.22 -33.12 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -72.45 -35.69 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.88 -39.77 94.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -59.47 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.672 HD13 HD22 ' A' ' 35' ' ' LEU . 7.2 mt -95.17 45.04 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.0 89.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.1 -35.56 61.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -75.27 -29.82 60.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.297 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.3 mt -49.49 -58.45 9.04 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.483 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.5 Cg_exo -44.9 -32.55 6.43 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.572 2.181 . . . . 0.0 112.619 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -74.93 -31.55 61.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.016 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.6 mm -74.05 114.45 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.415 ' CB ' HG23 ' A' ' 60' ' ' THR . 2.2 t-80 -65.23 -32.12 73.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.711 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 117.0 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.437 ' HE2' HD13 ' A' ' 35' ' ' LEU . 4.6 t80 -123.23 137.85 54.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.64 119.99 13.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.53 152.44 39.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.49 120.07 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.9 p -111.17 140.64 45.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.656 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.8 mt -149.98 179.99 7.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.18 159.04 30.61 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.83 -29.99 41.18 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.469 2.112 . . . . 0.0 112.244 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -71.92 -43.05 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.791 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -66.17 -47.24 74.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.669 ' CH2' HD11 ' A' ' 65' ' ' LEU . 2.1 t-105 -60.14 -57.27 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 m -60.17 -31.06 69.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -60.08 -50.95 71.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -137.27 87.5 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 ptt85 -117.96 76.45 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -91.18 -42.7 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.87 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.847 0.356 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -176.42 165.95 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.01 48.93 2.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.38 145.93 37.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -159.69 99.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 60.54 172.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -129.57 87.91 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -157.74 175.59 13.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -127.84 176.83 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 63.55 139.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 59.99 102.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 m -89.99 104.46 17.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -84.09 -44.81 13.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.47 124.79 8.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.03 -45.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.309 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.2 m -151.64 154.87 37.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -131.71 160.3 35.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 m -148.94 159.97 36.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.054 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.07 148.59 23.52 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.577 2.185 . . . . 0.0 112.359 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -102.97 -58.73 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.28 103.64 0.16 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.49 167.01 11.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.357 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 60.61 91.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.76 28.43 13.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.76 -46.9 0.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.352 . . . . 0.0 111.111 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 61.9 28.76 17.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -30.11 66.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.673 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.2 mtt -110.04 -26.96 9.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.866 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 60.77 92.85 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.508 HD23 HD11 ' A' ' 94' ' ' ILE . 10.1 mp 60.41 111.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.8 m -106.97 171.84 7.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -69.21 -53.9 17.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -59.87 -30.09 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -58.94 -57.38 13.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.647 HD22 HD22 ' A' ' 87' ' ' LEU . 48.0 mt -65.86 -31.12 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -68.05 -54.6 17.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -59.56 -30.6 68.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -69.21 -58.82 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.482 HD22 HG13 ' A' ' 83' ' ' VAL . 58.3 mt -58.63 -32.5 69.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.023 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.6 ttp85 -59.83 -53.27 59.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -75.25 -32.19 61.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.043 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.94 -52.63 64.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.5 mt -98.19 -7.09 30.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.374 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 58.81 35.05 24.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.885 0.374 . . . . 0.0 110.806 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 165.72 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.57 -62.67 1.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.796 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.53 143.67 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.4 m -146.04 158.16 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -150.03 121.07 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.0 p -105.19 158.33 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.486 ' N ' HG22 ' A' ' 50' ' ' VAL . 3.8 tt0 -141.82 167.99 20.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -150.02 130.6 13.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.796 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.5 p -122.41 37.44 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 56' ' ' ASN . 2.4 m -137.37 119.95 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.7 mt -95.41 -40.44 9.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.401 ' O ' HG22 ' A' ' 54' ' ' THR . 4.2 p30 -101.63 -178.21 3.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -85.65 85.82 7.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -169.11 127.34 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 58' ' ' CYS . . . 69.02 -66.2 0.26 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.813 HG22 ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 63.19 77.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.004 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 p -92.5 143.45 26.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.778 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.813 ' CE2' HG22 ' A' ' 60' ' ' THR . 96.1 m-85 -140.5 150.93 44.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -138.39 120.07 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.644 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.441 HG12 HG23 ' A' ' 50' ' ' VAL . 29.6 m -118.63 154.27 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.322 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -123.44 137.85 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.74 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.763 ' N ' HD13 ' A' ' 65' ' ' LEU . 22.0 t -130.9 131.22 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.22 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.411 HG23 ' CD1' ' A' ' 65' ' ' LEU . 34.1 t -140.39 119.94 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.984 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.65 178.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.44 -18.6 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.355 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -50.62 -35.02 28.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.852 0.358 . . . . 0.0 111.061 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.449 ' CE2' ' HB ' ' A' ' 101' ' ' THR . 20.3 m-85 -75.06 -30.91 61.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.416 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.7 OUTLIER -61.75 -47.29 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.89 -59.99 9.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.65 ' HD3' HD11 ' A' ' 82' ' ' LEU . 14.6 mttp -77.83 157.48 79.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.691 0.281 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.4 -167.79 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.525 2.15 . . . . 0.0 112.3 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tt -83.78 -33.41 24.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -75.0 -32.75 61.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -73.06 -45.68 56.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 13.5 ptp180 -59.73 -44.26 93.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -63.13 -36.14 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -74.35 -32.31 62.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.65 HD11 ' HD3' ' A' ' 74' ' ' LYS . 9.1 mt -58.89 -49.99 75.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.482 HG13 HD22 ' A' ' 39' ' ' LEU . 22.0 t -61.44 -43.58 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.84 -40.54 83.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.37 -37.46 77.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.21 -57.48 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.647 HD22 HD22 ' A' ' 35' ' ' LEU . 4.8 mt -97.34 46.66 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.18 73.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.177 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.08 -34.55 61.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.07 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -75.14 -29.91 60.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.379 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.0 mt -50.24 -58.24 10.31 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.445 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.2 Cg_exo -44.78 -32.44 6.09 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.661 2.241 . . . . 0.0 112.521 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -74.98 -31.45 61.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.508 HD11 HD23 ' A' ' 30' ' ' LEU . 21.9 mm -75.05 114.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -65.95 -31.5 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.725 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -154.31 116.79 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.475 ' HE2' HD13 ' A' ' 35' ' ' LEU . 21.6 t80 -120.29 139.3 52.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -148.11 119.99 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -135.77 147.84 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -113.85 166.09 11.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.449 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 18.4 p -148.24 131.75 16.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.62 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 8.2 mt -149.36 161.57 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.452 ' HG1' ' HB2' ' A' ' 106' ' ' GLN . 25.8 p -84.53 155.26 62.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.54 -48.35 21.87 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.574 2.183 . . . . 0.0 112.248 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -31.0 68.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.452 ' HB2' ' HG1' ' A' ' 103' ' ' THR . 20.5 mt-30 -73.56 -53.88 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.62 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.4 t-105 -64.19 -47.71 78.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.6 m -57.82 -30.78 66.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.996 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -85.16 -40.27 16.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -103.23 51.08 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.9 53.55 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.55 78.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.873 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.805 0.336 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.77 89.52 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.06 168.14 25.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.527 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.49 -44.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -105.42 100.71 10.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -85.73 -45.52 11.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -60.26 101.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -120.66 -175.79 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -154.46 -45.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 63.17 -179.29 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 61.05 68.78 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 m -87.83 -62.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 m -122.9 150.94 42.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.76 43.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.31 92.44 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.323 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.91 96.79 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mt -123.31 108.54 12.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 20' ' ' ARG . 27.5 t 63.78 88.79 0.11 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.038 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.03 -28.22 29.0 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.503 2.135 . . . . 0.0 112.246 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 18' ' ' VAL . 8.9 tpt180 -85.2 143.72 28.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.59 28.46 67.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.466 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -174.26 36.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -103.82 35.5 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.04 73.84 0.28 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.543 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.1 -63.87 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.71 28.22 17.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.243 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -30.09 66.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.929 0.395 . . . . 0.0 110.664 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.0 mtm -110.01 -26.74 9.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.424 ' HG2' HD13 ' A' ' 30' ' ' LEU . 2.1 tt0 63.61 139.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.929 0.395 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD13 ' HG2' ' A' ' 29' ' ' GLU . 9.9 mp 58.8 101.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.72 161.01 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.57 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -59.6 -49.2 78.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -31.54 70.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -60.38 -52.74 63.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.761 HD22 HD22 ' A' ' 87' ' ' LEU . 34.1 mt -69.39 -30.82 68.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -69.54 -57.98 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -59.47 -36.6 76.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -60.21 -60.0 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.818 HD22 HG13 ' A' ' 83' ' ' VAL . 8.1 mt -66.54 -31.67 72.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -69.92 -44.21 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -75.44 -41.67 55.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.66 -51.61 69.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.743 HD13 ' CZ ' ' A' ' 71' ' ' PHE . 11.9 mt -85.52 -20.17 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 62.15 41.97 10.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.402 ' CB ' HG13 ' A' ' 66' ' ' VAL . . . -61.49 -177.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -96.37 -54.6 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.09 129.46 34.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 66' ' ' VAL . 29.4 m -128.12 160.16 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -147.82 127.38 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.57 HG22 ' HB1' ' A' ' 32' ' ' ALA . 11.1 p -122.73 143.84 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -139.17 174.06 10.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -150.03 145.42 26.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.7 p -106.32 35.64 2.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.5 m -132.07 141.46 49.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.9 mt -110.31 -50.19 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -67.39 173.45 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -70.96 81.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -168.79 171.38 8.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.595 ' HB1' ' HE2' ' A' ' 62' ' ' PHE . . . -133.57 116.52 16.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.6 m -111.43 -70.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.5 p -121.45 159.23 26.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.595 ' HE2' ' HB1' ' A' ' 59' ' ' ALA . 44.5 m-85 -149.98 149.58 30.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 50' ' ' VAL . 1.1 mtt180 -130.81 139.45 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.7 m -130.43 132.74 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -115.09 137.42 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.758 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.6 t -142.82 136.35 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.2 t -142.81 119.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.043 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.94 -178.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.11 -15.62 31.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.412 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -52.55 -35.91 54.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 0.0 111.059 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.743 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 12.0 m-85 -75.13 -30.35 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.001 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.0 -31.36 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.47 -30.04 76.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.59 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.777 ' CD ' HD11 ' A' ' 82' ' ' LEU . 10.7 mttm -112.13 154.68 44.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.48 173.01 8.32 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.562 2.174 . . . . 0.0 112.302 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.8 tp -58.43 -43.34 88.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 78' ' ' GLN . 3.5 pp -59.4 -32.87 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.6 tp60 -74.97 -37.02 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 83' ' ' VAL . 67.2 mtt180 -59.51 -43.45 93.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -74.85 -49.25 21.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -60.4 -34.12 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.777 HD11 ' CD ' ' A' ' 74' ' ' LYS . 11.0 mt -61.68 -55.61 28.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.818 HG13 HD22 ' A' ' 39' ' ' LEU . 30.2 t -60.42 -32.6 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' OD1' HD11 ' A' ' 91' ' ' LEU . 24.2 m-20 -70.32 -41.64 73.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -65.16 -34.76 79.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -60.04 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.835 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.761 HD22 HD22 ' A' ' 35' ' ' LEU . 3.8 mt -99.99 38.01 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.6 91.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -75.16 -42.16 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.29 -29.98 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.449 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.45 HD11 ' OD1' ' A' ' 84' ' ' ASN . 6.2 mt -46.49 -58.49 6.6 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.664 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.7 Cg_exo -44.9 -33.56 7.6 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.644 2.229 . . . . 0.0 112.517 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -74.97 -30.47 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.4 127.97 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -74.89 -34.12 62.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.699 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.09 116.89 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.957 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.574 ' HE2' HD13 ' A' ' 35' ' ' LEU . 40.0 t80 -120.68 136.31 54.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -138.66 127.78 24.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.75 158.23 40.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -144.67 120.13 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.5 p -108.85 133.77 52.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.777 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 9.3 mt -147.27 164.52 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.1 p -88.84 154.62 50.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.44 -48.98 19.02 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.563 2.175 . . . . 0.0 112.286 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.6 -33.96 72.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -70.47 -42.82 70.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.777 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.8 t-105 -73.57 -46.11 49.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 m -58.53 -31.12 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -27.27 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.956 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.85 43.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.1 mtm105 -141.48 36.86 1.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -63.85 136.59 57.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.0 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.837 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.2 mtt . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.746 0.307 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -132.35 -47.93 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.33 162.56 15.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.57 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.9 m -105.35 175.54 5.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -147.14 75.62 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 59.87 106.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -145.37 35.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.988 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -69.61 110.03 4.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 60.59 110.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -150.79 34.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -162.3 140.28 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.23 146.89 45.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.2 m -107.92 132.48 53.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.63 -142.47 11.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.546 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -154.55 -66.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.823 ' HB3' HD23 ' A' ' 17' ' ' LEU . 2.4 m -160.57 -74.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.823 HD23 ' HB3' ' A' ' 16' ' ' SER . 0.5 OUTLIER -156.92 126.95 6.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 m -134.96 72.36 68.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.06 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.42 -47.61 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.536 2.158 . . . . 0.0 112.259 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -178.71 -67.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.97 149.68 46.49 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.0 m -164.26 178.0 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.66 163.6 13.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -90.15 -159.43 35.53 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.543 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 24' ' ' GLY . . . 68.25 -68.95 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.63 -161.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.496 ' O ' HG22 ' A' ' 27' ' ' THR . 18.4 m 61.44 19.75 10.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.922 0.392 . . . . 0.0 110.481 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 179.14 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.686 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -92.78 153.17 19.04 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp 60.02 99.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -130.48 163.78 26.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -62.7 -50.22 71.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -59.95 -30.93 69.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -60.26 -46.49 89.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.109 HD22 HD13 ' A' ' 87' ' ' LEU . 22.0 mt -75.0 -31.38 61.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.669 ' HE ' HG12 ' A' ' 50' ' ' VAL . 1.1 ttm180 -67.51 -57.47 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.79 -38.09 80.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -60.34 -57.38 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.03 -46.64 80.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -45.45 91.14 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -75.29 -48.05 25.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -59.48 -59.98 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.648 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 18.5 mt -70.94 -23.72 62.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 62.84 82.35 0.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.402 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -113.6 176.39 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -57.03 3.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -128.45 138.91 52.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.0 m -140.17 151.86 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -139.68 122.71 16.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.669 HG12 ' HE ' ' A' ' 36' ' ' ARG . 12.0 p -115.63 157.07 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.187 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 50' ' ' VAL . 9.1 tp10 -150.03 158.07 43.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -150.1 138.34 20.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.3 p -97.08 39.79 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 54' ' ' THR . 7.7 t -65.56 115.39 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.1 mt 59.24 29.18 18.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -102.57 -70.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.57 156.64 1.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.9 m 60.66 -169.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.8 153.86 40.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.09 102.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.414 ' CB ' ' HB3' ' A' ' 96' ' ' ALA . 6.2 m -119.95 128.83 53.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.519 ' HD1' HG23 ' A' ' 94' ' ' ILE . 86.5 m-85 -107.4 140.68 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -126.61 120.01 28.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.1 m -118.87 141.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.106 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 66' ' ' VAL . 1.2 tm? -128.52 140.76 51.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.837 ' N ' HD13 ' A' ' 65' ' ' LEU . 18.7 t -138.99 143.31 31.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.3 t -145.19 122.6 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.59 172.52 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.35 -21.16 27.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.354 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.99 -30.61 59.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.648 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 2.6 m-85 -74.98 -31.25 61.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.646 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.5 OUTLIER -60.32 -31.22 70.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.35 -32.24 83.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -106.85 157.43 35.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.665 0.269 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.37 -168.76 0.27 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.647 2.231 . . . . 0.0 112.229 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 tt -84.93 -31.29 23.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.504 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -75.07 -33.59 61.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -75.06 -50.75 15.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.432 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 18.7 ptt180 -60.21 -44.01 95.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -61.29 -37.85 84.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.485 ' NH2' HD12 ' A' ' 77' ' ' LEU . 7.9 mtm180 -72.44 -31.78 65.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' HB3' HD21 ' A' ' 43' ' ' LEU . 11.0 mt -60.21 -38.91 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.51 -42.58 78.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -69.18 -40.77 77.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -63.5 -34.02 76.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -60.0 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.109 HD13 HD22 ' A' ' 35' ' ' LEU . 5.4 mt -104.33 52.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.87 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -75.13 -35.81 61.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.997 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.23 -29.91 60.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.359 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.2 mt -49.12 -58.57 8.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.54 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.424 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.3 Cg_exo -44.92 -32.66 6.59 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.506 2.137 . . . . 0.0 112.607 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -75.0 -31.61 61.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.519 HG23 ' HD1' ' A' ' 62' ' ' PHE . 24.2 mm -73.68 117.23 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -64.28 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' ' 61' ' ' SER . . . -155.88 116.99 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.977 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.576 ' HE2' HD13 ' A' ' 35' ' ' LEU . 25.7 t80 -123.36 139.75 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -143.38 120.03 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -114.59 142.8 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -135.05 126.73 29.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.2 p -119.91 139.12 52.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.692 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 7.2 mt -148.62 156.52 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.646 HG22 ' HG2' ' A' ' 72' ' ' GLU . 16.0 p -79.33 154.86 76.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.49 -48.96 19.16 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.589 2.193 . . . . 0.0 112.291 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.04 -36.84 75.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -64.44 -48.48 75.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.692 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.5 t-105 -71.52 -35.82 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.1 m -60.31 -31.38 70.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -31.11 65.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -98.21 35.69 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -119.75 80.14 1.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -106.22 40.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.844 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.81 -37.41 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -110.46 165.34 12.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.519 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.7 p -157.31 -59.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m 60.87 178.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -148.15 -46.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.07 101.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -90.92 -24.58 20.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.96 128.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.73 154.12 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -107.7 166.54 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.2 m -107.43 -36.88 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.3 m 60.51 158.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.97 -67.48 3.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.29 106.28 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 t -131.32 102.29 5.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -88.91 -65.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 18' ' ' VAL . 11.4 p -166.96 62.16 0.65 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.04 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.67 172.87 11.77 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.586 2.191 . . . . 0.0 112.326 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -161.81 80.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.9 -148.54 11.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.537 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.2 m 60.34 103.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.28 -68.52 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.24 87.78 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -164.47 154.39 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.73 28.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.26 -30.3 66.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.672 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 40.4 mtt -110.35 -26.99 9.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.883 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.41 160.54 16.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp 60.01 33.01 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m -93.66 159.11 15.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.741 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -62.02 -50.17 73.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.48 -30.05 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -59.68 -48.81 80.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.879 HD22 HD13 ' A' ' 87' ' ' LEU . 18.3 mt -74.93 -33.62 61.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' HD3' HG12 ' A' ' 50' ' ' VAL . 47.5 ttp85 -69.84 -48.24 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -60.07 -47.38 86.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -59.93 -50.82 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.24 -51.99 57.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HB2' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -59.45 -41.36 89.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.052 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -75.35 -44.03 47.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.057 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -67.68 -59.95 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' A' ' 71' ' ' PHE . 84.5 mt -67.69 -25.25 65.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.035 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 62.0 51.62 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.932 0.396 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.89 179.45 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.15 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -94.62 -51.64 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -137.66 121.6 17.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.6 m -123.1 161.15 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -149.54 128.33 12.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.741 ' CG2' ' HB1' ' A' ' 32' ' ' ALA . 11.0 p -121.02 145.5 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.94 166.06 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -150.01 119.98 7.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.2 p -98.82 78.94 2.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.23 162.58 31.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.5 mt -130.68 -46.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -129.6 -67.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -170.51 91.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -176.79 100.05 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.02 84.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -76.63 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.702 ' HA ' ' HB3' ' A' ' 96' ' ' ALA . 16.5 m 59.95 109.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -116.57 161.24 19.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -145.14 120.16 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.498 HG12 HG23 ' A' ' 50' ' ' VAL . 23.6 m -120.37 141.89 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.215 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -112.82 152.27 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.759 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.493 ' HA ' HG12 ' A' ' 48' ' ' VAL . 20.2 t -149.98 119.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.261 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.96 119.94 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.014 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.93 -172.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -98.37 -0.05 44.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.541 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -59.69 -39.77 85.67 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.813 0.34 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.575 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 27.8 m-85 -74.98 -30.39 61.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.99 -30.22 70.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.94 -49.78 74.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.577 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -104.16 163.05 18.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.666 0.27 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.5 -175.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.523 2.148 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.414 ' C ' HD23 ' A' ' 76' ' ' LEU . 8.8 tt -78.74 -33.85 46.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.05 -31.81 61.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.01 -45.84 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.436 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 7.8 ptp180 -60.09 -38.07 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -67.12 -36.51 82.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -71.09 -33.23 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -60.16 -45.73 92.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.73 -42.07 94.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.54 -40.57 80.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.31 -32.23 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.05 -60.02 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.879 HD13 HD22 ' A' ' 35' ' ' LEU . 4.2 mt -108.04 44.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.9 92.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -75.06 -36.05 61.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.507 ' OE2' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.3 -29.85 60.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.368 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.413 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.3 mt -48.66 -57.83 9.98 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.589 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.7 Cg_exo -44.89 -31.16 5.01 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.668 2.246 . . . . 0.0 112.583 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -75.0 -32.23 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.4 mm -74.29 113.62 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -60.58 -33.69 73.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.736 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.702 ' HB3' ' HA ' ' A' ' 61' ' ' SER . . . -148.18 118.68 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.988 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -123.18 133.65 54.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -140.7 120.0 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.466 ' OE1' HG23 ' A' ' 101' ' ' THR . 1.6 pp0? -126.94 145.75 50.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.43 ' HB3' HD13 ' A' ' 65' ' ' LEU . 5.2 tptt -124.87 130.82 53.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.807 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.466 HG23 ' OE1' ' A' ' 99' ' ' GLN . 72.0 p -121.21 126.27 49.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.66 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.1 mt -149.15 172.64 14.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.0 p -92.85 155.59 41.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.97 -50.26 13.83 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.569 2.179 . . . . 0.0 112.308 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.26 -41.59 89.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -59.72 -48.49 81.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.66 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -67.69 -44.89 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m -65.85 -31.72 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -27.59 34.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -95.98 39.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -109.17 33.68 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -123.54 80.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.776 0.322 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.04 84.2 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.47 -91.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.526 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -60.28 113.09 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -92.18 79.96 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -108.59 -33.31 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.31 116.91 14.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -106.64 137.61 44.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -149.74 131.26 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -144.68 -47.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.48 161.22 42.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 t -133.69 119.78 19.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 p -139.04 -47.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.08 149.16 19.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.456 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.1 -61.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -156.52 113.78 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tp -123.53 137.93 54.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.5 t -127.78 88.6 52.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.33 170.13 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.14 -63.31 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.99 164.8 49.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.613 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -149.42 156.54 42.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -149.76 84.65 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.82 31.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.525 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -175.35 134.91 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.342 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.37 28.19 1.86 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -30.25 67.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.696 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.6 mtt -110.25 -26.88 9.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.908 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.95 99.93 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' ' 90' ' ' GLU . 4.1 mm? -43.94 150.21 0.28 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.55 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.3 m -144.62 145.41 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.599 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -65.8 -46.27 79.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -31.46 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -60.96 -46.05 92.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.709 HD22 HD13 ' A' ' 87' ' ' LEU . 20.4 mt -73.12 -31.14 64.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -67.2 -59.97 2.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.43 -32.92 71.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -65.12 -59.97 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.7 mt -59.39 -31.36 69.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HB2' HG21 ' A' ' 48' ' ' VAL . 7.6 ttp180 -59.52 -59.21 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -75.2 -39.27 60.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.1 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -59.1 -59.94 4.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.53 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 32.8 mt -79.96 -18.23 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 63.66 77.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.18 174.53 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -89.78 -51.64 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -135.1 120.13 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.487 HG12 HG13 ' A' ' 66' ' ' VAL . 22.9 m -116.32 152.96 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -143.75 144.28 31.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.599 ' CG2' ' HB1' ' A' ' 32' ' ' ALA . 11.0 p -126.56 158.31 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.48 ' N ' HG22 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -141.65 166.92 23.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -150.06 138.01 20.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.825 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.3 p -146.67 82.65 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 59' ' ' ALA . 2.6 m -85.11 138.18 32.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 mt -131.73 31.3 4.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -176.85 -179.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.26 31.89 4.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.7 m -147.96 -55.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.597 ' HB1' ' CG ' ' A' ' 95' ' ' HIS . . . -77.44 162.72 26.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.9 p -157.22 104.87 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.422 ' OG ' ' HB3' ' A' ' 96' ' ' ALA . 17.5 m -87.37 152.32 22.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -150.05 144.95 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.13 120.12 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.547 HG11 ' CZ ' ' A' ' 97' ' ' PHE . 31.4 m -101.56 135.32 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.875 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.0 tm? -133.18 139.29 46.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.875 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.4 t -144.23 141.61 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.229 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 t -133.65 119.98 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 t -176.29 175.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.64 -22.18 21.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.323 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.34 -33.17 52.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.53 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 3.3 m-85 -75.06 -30.06 60.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.682 ' HG2' HG22 ' A' ' 103' ' ' THR . 3.8 mm-40 -63.2 -37.56 87.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.97 -54.72 35.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.538 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -77.83 157.24 79.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.662 0.268 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.14 -171.17 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.57 2.18 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.3 tt -78.41 -31.22 48.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.504 HD12 ' OE1' ' A' ' 78' ' ' GLN . 0.3 OUTLIER -74.96 -31.16 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.504 ' OE1' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -73.84 -44.83 54.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.686 ' O ' HG23 ' A' ' 83' ' ' VAL . 11.2 ptp180 -59.01 -40.45 84.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -74.62 -31.45 62.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -73.95 -40.23 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.475 ' HB3' HD21 ' A' ' 43' ' ' LEU . 12.1 mt -63.05 -44.24 96.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 79' ' ' ARG . 26.8 t -67.73 -44.48 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -65.68 -47.48 75.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.35 -31.0 69.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.55 -58.6 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.709 HD13 HD22 ' A' ' 35' ' ' LEU . 4.2 mt -102.91 39.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.79 80.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -75.17 -42.19 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.664 ' HB3' HD11 ' A' ' 30' ' ' LEU . 7.0 mp0 -75.27 -29.94 60.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.429 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.3 mt -46.42 -58.52 6.49 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.575 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.9 Cg_exo -44.95 -33.61 7.76 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.196 . . . . 0.0 112.546 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -75.02 -30.99 61.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.1 mm -74.42 122.72 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.597 ' CG ' ' HB1' ' A' ' 59' ' ' ALA . 8.1 t-160 -68.18 -34.91 77.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.69 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.422 ' HB3' ' OG ' ' A' ' 61' ' ' SER . . . -149.17 116.95 6.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.978 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.547 ' CZ ' HG11 ' A' ' 64' ' ' VAL . 18.7 t80 -121.87 130.79 53.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -121.74 119.98 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -100.12 123.96 44.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.434 ' HE2' HD23 ' A' ' 65' ' ' LEU . 6.6 ttpt -132.77 124.14 27.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.802 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.1 p -126.09 144.39 50.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.709 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 11.0 mt -150.02 163.32 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.682 HG22 ' HG2' ' A' ' 72' ' ' GLU . 19.6 p -88.71 151.32 47.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.8 -44.36 49.9 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.496 2.131 . . . . 0.0 112.298 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -59.89 -46.05 90.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -60.06 -49.55 77.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.709 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 3.4 t-105 -61.44 -50.94 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.8 m -58.03 -54.95 41.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -60.09 -31.74 70.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -142.89 81.21 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.61 36.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -65.04 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.864 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ttm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.75 0.309 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -112.75 -52.76 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.88 31.2 75.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.525 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.53 146.68 34.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.44 84.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 60.31 159.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -136.6 82.66 1.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -168.87 34.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.8 p-80 -112.12 123.4 50.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -145.76 176.06 9.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -125.91 124.97 41.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.57 -169.36 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 m -160.44 -73.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.33 -156.46 26.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.82 156.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 t -112.08 32.12 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -125.56 -177.42 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -147.5 127.5 6.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.23 -29.01 22.27 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.431 2.087 . . . . 0.0 112.356 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -58.7 117.39 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.35 98.44 0.13 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 p -61.53 -170.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -124.89 162.1 25.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.05 -114.35 6.74 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 65.93 -74.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.76 0.314 . . . . 0.0 111.215 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.4 30.82 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.194 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.7 m -58.03 -30.41 66.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.619 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 ttm -109.72 -24.41 10.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.97 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.415 ' HG2' HD12 ' A' ' 30' ' ' LEU . 0.9 OUTLIER 61.67 160.51 0.06 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.871 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD12 ' HG2' ' A' ' 29' ' ' GLU . 10.3 mp 59.32 77.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -137.64 -179.4 5.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.597 ' O ' HG21 ' A' ' 50' ' ' VAL . . . -74.99 -53.01 9.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -31.57 72.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -60.29 -59.45 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.842 HD22 HD13 ' A' ' 87' ' ' LEU . 40.7 mt -61.68 -30.63 70.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -69.74 -60.03 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -60.09 -36.81 78.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HD3' HD23 ' A' ' 87' ' ' LEU . 28.0 tttp -60.09 -42.15 94.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.3 mt -75.06 -49.43 19.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.78 ' HB2' HG11 ' A' ' 48' ' ' VAL . 1.2 tmt_? -58.51 -37.9 76.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -75.33 -45.96 36.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.08 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.16 -60.02 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.639 HD22 ' CZ ' ' A' ' 71' ' ' PHE . 11.9 mt -65.78 -24.92 67.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.079 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 62.1 46.24 6.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.756 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.31 -176.12 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -97.02 -53.72 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -122.31 146.21 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.78 HG11 ' HB2' ' A' ' 40' ' ' ARG . 16.7 m -142.62 154.76 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -150.02 130.48 13.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 32' ' ' ALA . 10.9 p -127.71 150.14 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -150.01 174.89 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -149.95 145.29 26.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.76 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.7 p -133.1 37.27 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.404 HG21 ' HA ' ' A' ' 60' ' ' THR . 23.6 p -106.26 -77.79 0.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.7 mt 57.93 31.18 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -136.49 172.33 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -103.23 31.45 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.7 p -160.65 31.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -151.84 155.25 37.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.722 HG23 ' H ' ' A' ' 95' ' ' HIS . 1.4 t -158.53 100.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.4 p -153.17 130.92 11.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.419 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 5.5 m-85 -139.37 162.57 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.502 HH12 HD23 ' A' ' 65' ' ' LEU . 8.8 ttt-85 -126.42 120.04 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.79 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.449 ' CG2' ' CZ ' ' A' ' 97' ' ' PHE . 24.8 m -105.79 146.69 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.795 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -129.61 139.5 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.812 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.795 ' N ' HD13 ' A' ' 65' ' ' LEU . 16.4 t -139.75 145.15 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.232 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.6 t -150.0 119.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.38 168.45 2.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.14 -18.93 52.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.364 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -33.04 62.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.777 0.323 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.639 ' CZ ' HD22 ' A' ' 43' ' ' LEU . 2.6 m-85 -75.0 -30.53 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.603 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.5 OUTLIER -58.68 -34.56 71.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.65 -29.91 67.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -111.01 154.36 43.47 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.636 0.255 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.32 174.17 5.42 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.629 2.219 . . . . 0.0 112.298 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 tp -59.81 -46.15 90.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.407 HD12 HE22 ' A' ' 78' ' ' GLN . 0.5 OUTLIER -59.69 -32.71 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.974 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.407 HE22 HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -75.04 -31.97 61.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HG2' ' CD1' ' A' ' 71' ' ' PHE . 31.3 mtt180 -59.77 -59.5 5.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -60.23 -31.35 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -36.15 78.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB3' HD21 ' A' ' 43' ' ' LEU . 12.4 mt -64.87 -49.37 70.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.417 HG21 ' OE1' ' A' ' 99' ' ' GLN . 21.3 t -59.72 -42.09 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.33 -43.52 94.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.26 -34.36 75.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.13 -59.92 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.842 HD13 HD22 ' A' ' 35' ' ' LEU . 6.2 mt -100.63 36.61 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.802 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.77 -31.54 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.38 -48.74 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -75.36 -29.93 60.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.625 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.409 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.3 mt -45.06 -58.05 6.22 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.645 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.9 Cg_exo -44.91 -34.62 8.94 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.644 2.23 . . . . 0.0 112.514 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -74.93 -30.41 61.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.0 mm -75.33 129.2 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.722 ' H ' HG23 ' A' ' 60' ' ' THR . 66.3 t-80 -74.34 -33.96 63.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.732 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.52 116.82 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.987 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.582 ' HE1' HD13 ' A' ' 35' ' ' LEU . 49.9 t80 -123.38 123.32 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -114.68 121.57 43.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.417 ' OE1' HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -127.53 142.92 51.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -137.65 128.08 26.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.974 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 p -117.7 136.75 53.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.659 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.0 mt -145.85 178.26 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.603 HG22 ' HG2' ' A' ' 72' ' ' GLU . 40.4 p -92.74 155.77 41.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.79 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 103' ' ' THR . 40.0 Cg_endo -66.82 -36.37 24.0 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.594 2.196 . . . . 0.0 112.268 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.7 -33.28 72.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.541 ' OE1' HD22 ' A' ' 102' ' ' LEU . 81.4 mt-30 -74.94 -48.07 26.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.659 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 3.6 t-105 -59.55 -30.92 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 90.3 m -60.0 -27.87 67.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -96.68 25.91 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.69 27.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -140.01 33.61 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -76.06 -31.86 59.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.194 -0.907 . . . . 0.0 110.883 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.842 0.353 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.9 -67.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.0 38.47 5.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -103.38 -60.88 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -60.41 145.28 48.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 8' ' ' HIS . 31.0 m170 -125.92 -44.92 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.8 m170 68.86 -67.61 0.21 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.419 ' CE1' ' HB3' ' A' ' 6' ' ' HIS . 39.2 m170 61.06 157.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -98.6 29.0 3.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -179.03 -169.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.24 -169.39 2.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -128.17 -74.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.9 m -126.68 -44.67 1.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.59 160.85 21.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.61 118.03 21.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.1 m -113.3 -41.46 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.68 90.58 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 m -118.85 149.77 47.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.54 -175.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.514 2.142 . . . . 0.0 112.294 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.11 -71.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.65 -135.19 51.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.571 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 p -131.93 80.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -140.99 141.0 34.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.12 61.86 0.18 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.16 110.54 21.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -98.08 28.19 4.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.4 p -58.45 -30.14 66.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.64 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 tpp -110.55 -27.5 8.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.831 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.42 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 4.5 mm-40 -88.3 120.52 29.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 90' ' ' GLU . 4.1 mm? -44.15 159.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.491 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -161.85 136.72 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.429 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -61.08 -47.45 86.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -31.39 69.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -68.13 -47.51 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.76 HD22 HD13 ' A' ' 87' ' ' LEU . 34.7 mt -67.47 -36.53 81.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.043 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.617 ' NE ' HG23 ' A' ' 48' ' ' VAL . 1.3 ttt180 -70.66 -47.4 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.63 -35.64 81.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -60.0 -60.01 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.45 -30.76 70.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -59.94 -60.18 4.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -75.17 -35.61 61.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.07 -52.81 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.055 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.519 HD21 HD13 ' A' ' 82' ' ' LEU . 6.3 mt -93.16 -15.5 25.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.275 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 62.35 60.05 1.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 0.0 110.773 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' CB ' HG13 ' A' ' 66' ' ' VAL . . . -85.57 170.82 12.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.2 -53.83 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -130.2 137.1 49.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.807 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.617 HG23 ' NE ' ' A' ' 36' ' ' ARG . 14.5 m -141.01 147.3 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -144.19 132.62 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.431 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.1 p -125.4 155.25 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 50' ' ' VAL . 11.2 pt-20 -146.74 167.73 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -150.0 138.19 20.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 p -94.16 64.01 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 55' ' ' LEU . 24.7 m -163.7 162.96 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.433 ' N ' HG22 ' A' ' 54' ' ' THR . 18.0 mt -142.83 -47.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -132.42 43.97 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.7 -168.25 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.5 p -96.57 39.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' HB1' ' CZ ' ' A' ' 62' ' ' PHE . . . 59.54 161.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.105 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.8 m -143.14 -67.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.61 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 12.1 t -121.34 149.13 43.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.436 ' CZ ' ' HB1' ' A' ' 59' ' ' ALA . 73.9 m-85 -135.42 155.16 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -138.02 124.62 20.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.447 HG22 ' CE1' ' A' ' 97' ' ' PHE . 29.9 m -110.95 131.68 61.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.675 HD11 ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -117.76 135.38 54.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.605 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.5 t -144.24 143.06 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.219 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 t -147.52 119.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.07 -170.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.9 -17.35 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.438 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -52.68 -31.48 37.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.882 0.372 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.445 ' CZ ' ' CG2' ' A' ' 101' ' ' THR . 16.2 m-85 -75.0 -31.51 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -31.35 71.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.67 -40.66 99.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.643 ' HD2' HD11 ' A' ' 82' ' ' LEU . 17.7 mttt -104.02 153.15 39.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.667 0.27 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.84 167.57 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.573 2.182 . . . . 0.0 112.269 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 76' ' ' LEU . 4.9 tt -64.65 -43.22 94.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.59 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.02 -33.6 76.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.95 -30.15 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.414 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 68.3 mtt180 -59.13 -56.49 21.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -60.1 -34.48 73.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -70.26 -31.22 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.643 HD11 ' HD2' ' A' ' 74' ' ' LYS . 11.4 mt -66.06 -49.94 65.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.406 HG11 ' HG2' ' A' ' 99' ' ' GLN . 21.5 t -59.7 -35.86 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.96 -38.78 79.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.48 -42.89 98.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -56.78 17.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.76 HD13 HD22 ' A' ' 35' ' ' LEU . 8.4 mt -99.01 40.98 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.88 85.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -75.06 -36.74 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.554 ' HB3' HD11 ' A' ' 30' ' ' LEU . 9.3 mp0 -75.35 -29.91 60.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.497 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.7 mt -48.37 -57.85 9.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.659 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.6 Cg_exo -44.85 -33.28 7.13 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.584 2.189 . . . . 0.0 112.658 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -75.04 -30.8 61.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.0 mm -75.52 122.24 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -74.54 -31.75 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 61' ' ' SER . . . -149.63 120.18 7.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 98' ' ' GLU . 9.1 t80 -131.15 144.43 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.047 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.45 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 3.5 tt0 -130.95 119.95 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.782 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.406 ' HG2' HG11 ' A' ' 83' ' ' VAL . 5.5 mt-30 -100.32 126.54 46.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.631 ' HB3' HD22 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -127.91 120.03 26.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.782 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.445 ' CG2' ' CZ ' ' A' ' 71' ' ' PHE . 18.3 p -129.85 129.7 44.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.685 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 6.9 mt -150.07 162.15 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.03 162.58 51.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.55 -42.86 6.44 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.489 2.126 . . . . 0.0 112.23 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -40.09 89.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -68.09 -50.43 55.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.685 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.8 t-105 -59.78 -30.8 69.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.0 m -60.09 -33.34 71.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -68.06 -32.82 73.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -117.24 66.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.67 35.78 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -130.39 31.45 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.905 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.738 0.304 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -97.64 -74.57 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.73 -154.79 20.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 m -141.9 125.93 17.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.27 127.44 41.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -125.57 81.06 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.18 146.29 25.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.797 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -106.25 90.42 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -172.84 79.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 60.04 30.6 20.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -129.18 -47.51 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.806 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t -103.42 36.89 2.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.59 93.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.93 -36.6 5.98 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.555 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.14 30.98 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 111.07 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m 60.75 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.68 130.8 32.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.72 91.54 3.55 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.47 111.53 2.56 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.591 2.194 . . . . 0.0 112.307 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -157.17 132.39 9.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.29 -171.36 15.23 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -60.71 86.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.719 0.295 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.28 -69.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.97 71.62 1.31 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.46 -169.14 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.23 21.94 8.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.4 m -63.49 -29.97 71.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.966 0.412 . . . . 0.0 110.66 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.8 mtt -111.9 -25.0 9.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.33 90.13 3.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -43.47 150.1 0.23 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.62 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -130.1 153.76 48.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.68 -52.43 25.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -32.03 71.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -60.75 -54.47 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.705 HD22 HD13 ' A' ' 87' ' ' LEU . 87.9 mt -62.32 -41.2 98.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.599 ' HD3' HG12 ' A' ' 50' ' ' VAL . 30.7 ttp180 -60.77 -60.1 4.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.13 -35.06 74.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -63.18 -60.02 3.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.592 HD22 HG13 ' A' ' 83' ' ' VAL . 14.1 mt -64.16 -35.72 81.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -59.23 -52.24 66.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -75.37 -42.0 55.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -59.54 -51.39 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 82' ' ' LEU . 6.2 mt -85.55 -20.92 28.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.07 78.39 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.77 -175.42 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -100.78 -53.91 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -131.33 125.84 33.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.536 HG12 HG22 ' A' ' 66' ' ' VAL . 7.5 m -124.95 150.07 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.99 126.52 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.599 HG12 ' HD3' ' A' ' 36' ' ' ARG . 11.4 p -119.95 151.67 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -131.78 159.11 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -150.1 122.36 8.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.761 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.1 p -92.39 -54.06 3.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 59' ' ' ALA . 63.8 m 61.42 154.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.5 mt -124.78 -43.93 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -170.2 108.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 64.33 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.44 103.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' HA ' HG23 ' A' ' 54' ' ' THR . . . -66.8 112.59 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.8 p -112.51 159.68 18.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.8 115.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -134.88 158.06 45.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -130.6 127.45 39.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.411 ' CG2' ' CE1' ' A' ' 97' ' ' PHE . 30.7 m -112.73 129.07 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 66' ' ' VAL . 1.2 tm? -125.98 142.89 51.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.865 ' N ' HD13 ' A' ' 65' ' ' LEU . 22.1 t -147.44 138.27 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.25 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.2 t -132.27 119.98 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.924 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.31 -176.91 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.928 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.61 -14.5 16.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.498 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -55.3 -30.86 61.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -75.01 -31.01 61.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.13 -30.89 68.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.39 -49.01 83.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.424 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -99.2 154.33 37.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.829 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.54 173.94 7.08 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.583 2.189 . . . . 0.0 112.27 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.582 HD12 ' HE ' ' A' ' 79' ' ' ARG . 11.4 tp -59.45 -43.96 93.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -59.22 -31.32 68.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -74.96 -57.54 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.582 ' HE ' HD12 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -59.33 -33.87 71.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.487 ' NE2' HD11 ' A' ' 76' ' ' LEU . 13.5 m170 -70.04 -38.52 75.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -75.0 -31.27 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.564 ' HB3' HD21 ' A' ' 43' ' ' LEU . 11.5 mt -60.07 -55.62 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.592 HG13 HD22 ' A' ' 39' ' ' LEU . 21.7 t -61.71 -34.08 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -72.06 -44.8 62.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.24 -34.64 76.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.002 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.22 -57.72 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.705 HD13 HD22 ' A' ' 35' ' ' LEU . 11.2 mt -98.33 46.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.27 -53.69 53.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.08 -32.03 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.21 -29.89 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.298 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.9 mt -51.2 -58.41 10.64 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.479 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.3 Cg_exo -45.02 -31.85 5.97 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.613 2.209 . . . . 0.0 112.541 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -74.97 -31.92 61.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.9 mm -73.7 109.95 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.216 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -60.81 -32.14 71.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.752 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.72 116.87 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.972 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.461 ' HE2' HD13 ' A' ' 35' ' ' LEU . 23.9 t80 -121.27 136.57 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -138.53 119.92 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.91 149.9 36.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.29 119.91 8.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 p -111.43 127.93 55.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.757 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 11.9 mt -141.42 151.74 43.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 p -81.13 155.77 72.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.81 -46.5 33.24 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.575 2.183 . . . . 0.0 112.318 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -31.17 68.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -73.63 -52.67 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.757 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.8 t-105 -61.53 -44.65 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.3 m -60.21 -30.95 69.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.8 mmm-85 -91.11 -25.36 19.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -96.87 34.99 1.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.58 33.54 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -88.66 169.79 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.874 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 ttm . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.893 0.378 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -106.31 146.07 30.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.97 -116.73 1.62 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.62 170.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.387 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.91 90.77 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -106.58 -31.87 8.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -83.47 -64.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -122.25 172.26 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.45 101.44 11.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -66.05 -176.97 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 68.94 -67.31 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 m -171.15 145.22 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 p -175.87 104.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.98 130.03 1.08 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.581 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.34 107.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.68 -63.31 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.2 tp -106.08 151.2 25.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.7 t -127.57 89.43 51.1 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.68 -27.19 32.39 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.552 2.168 . . . . 0.0 112.33 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -59.31 123.23 16.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.99 132.93 46.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.93 -31.34 11.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 61.32 154.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.02 -179.84 21.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.83 104.99 17.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.33 28.73 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 m -57.89 -30.16 65.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.7 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 54.6 mtt -110.29 -27.45 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.87 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 58.36 76.43 0.34 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.843 HD12 HD11 ' A' ' 94' ' ' ILE . 4.1 mm? -44.13 127.59 5.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.576 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -156.23 153.4 29.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.57 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -63.39 -47.83 80.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -34.72 74.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.87 -58.06 9.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.971 HD22 HD13 ' A' ' 87' ' ' LEU . 35.9 mt -61.03 -33.45 73.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.489 ' HD2' HG12 ' A' ' 50' ' ' VAL . 40.9 ttt-85 -64.24 -60.04 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.36 -32.5 73.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -64.12 -60.01 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.2 mt -59.99 -32.11 70.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -59.34 -60.17 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.08 -31.44 61.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.019 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.9 -55.24 20.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 82' ' ' LEU . 15.4 mt -87.54 -18.18 30.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 66.96 87.03 0.13 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -123.75 177.58 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.05 -57.16 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -127.93 130.95 49.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.7 m -127.78 143.71 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -131.95 127.76 37.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.57 HG22 ' HB1' ' A' ' 32' ' ' ALA . 11.2 p -122.08 141.83 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -129.18 160.94 31.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -150.08 136.81 19.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.79 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.5 p -81.62 -48.67 11.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.512 HG21 ' HB2' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -161.68 -176.14 5.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' H ' HG22 ' A' ' 54' ' ' THR . 12.1 mt -126.3 -47.68 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -106.98 36.06 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.512 ' HB2' HG21 ' A' ' 54' ' ' THR . 13.8 ttt180 -123.57 158.43 31.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.3 t -63.88 145.47 55.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.4 77.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 60' ' ' THR . 3.9 t -84.19 90.33 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -87.11 149.0 24.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -138.98 145.49 39.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 50' ' ' VAL . 1.4 mtt-85 -123.96 145.15 49.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.46 HG21 ' CZ ' ' A' ' 97' ' ' PHE . 5.6 m -145.81 124.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.887 HD13 ' N ' ' A' ' 66' ' ' VAL . 1.9 tm? -112.52 139.47 48.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.887 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.2 t -137.74 126.3 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.62 120.06 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.16 162.42 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.28 -15.75 56.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.459 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -30.0 39.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.832 0.349 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.58 ' HE1' HD22 ' A' ' 43' ' ' LEU . 18.5 m-85 -75.1 -31.34 61.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.506 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.7 OUTLIER -61.41 -35.53 77.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.55 -30.08 73.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -110.65 154.46 43.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.678 0.275 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.02 -174.42 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.622 2.215 . . . . 0.0 112.2 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.28 -35.35 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -73.64 -30.83 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -74.87 -53.62 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -59.04 -36.51 75.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -36.53 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -74.92 -32.28 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.795 ' HB3' HD21 ' A' ' 43' ' ' LEU . 10.0 mt -59.0 -46.46 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.587 HG22 HD11 ' A' ' 43' ' ' LEU . 27.3 t -65.1 -46.73 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -65.92 -43.55 87.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.2 -34.48 72.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.23 -59.99 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.971 HD13 HD22 ' A' ' 35' ' ' LEU . 8.7 mt -97.13 42.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.37 96.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.207 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -75.12 -38.14 61.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.442 ' HB3' HD11 ' A' ' 30' ' ' LEU . 1.7 mp0 -75.23 -29.88 60.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.443 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.2 mt -48.17 -58.42 8.04 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.462 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.6 Cg_exo -44.82 -33.31 7.12 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.562 2.175 . . . . 0.0 112.522 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -75.05 -31.41 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.843 HD11 HD12 ' A' ' 30' ' ' LEU . 23.2 mm -74.08 118.32 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -66.44 -31.85 72.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.719 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' A' ' 61' ' ' SER . . . -152.01 118.07 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.46 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 44.6 t80 -125.03 144.9 50.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.062 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -146.87 120.06 8.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -108.81 150.95 26.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -141.39 119.99 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.736 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 74.2 p -113.48 135.96 53.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.616 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 7.3 mt -149.97 148.58 29.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.506 HG22 ' HG2' ' A' ' 72' ' ' GLU . 30.3 p -79.91 149.86 71.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.49 -42.08 63.71 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.557 2.171 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.94 -31.51 69.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -74.99 -52.89 9.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.616 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.2 t-105 -59.8 -35.61 75.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 68.5 m -60.09 -32.39 70.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -90.4 -29.46 18.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.31 -11.69 61.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ptt85 -115.89 36.84 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -60.07 165.62 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.007 179.897 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 ttm . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.761 0.315 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -121.29 152.36 39.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.02 119.61 1.4 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.2 -59.21 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -168.24 120.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -111.9 80.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -83.25 -33.46 26.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 t60 60.28 98.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -160.74 97.47 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.82 -171.74 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.34 -49.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.72 36.08 19.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -131.32 137.25 48.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.68 -106.6 0.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.29 34.29 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 111.075 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.1 p -154.55 -46.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -118.88 142.78 47.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.3 m -130.07 150.04 74.88 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.96 -168.08 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.592 2.194 . . . . 0.0 112.337 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -71.97 86.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.89 -177.58 40.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.544 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.3 t -102.69 -67.77 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -135.14 31.12 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.75 131.7 7.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.425 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.37 -57.11 4.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.93 -162.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.512 ' O ' HG22 ' A' ' 27' ' ' THR . 22.2 m 61.4 19.49 10.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.875 0.369 . . . . 0.0 110.505 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.38 -32.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.676 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -117.01 151.39 36.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.642 HD23 HD11 ' A' ' 94' ' ' ILE . 9.1 mp 60.1 109.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -124.09 164.79 18.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -62.55 -57.86 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -30.57 70.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -59.64 -54.15 49.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.705 ' CD2' HD22 ' A' ' 87' ' ' LEU . 22.6 mt -69.29 -31.34 69.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.563 ' HD3' HG12 ' A' ' 50' ' ' VAL . 11.2 ttp180 -70.72 -51.72 25.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -63.3 -35.76 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -60.06 -59.97 4.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.64 -30.78 71.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -59.74 -54.69 43.33 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -29.94 60.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.123 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.47 -52.89 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.683 HD13 ' CE1' ' A' ' 71' ' ' PHE . 62.3 mt -99.26 -11.77 20.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.35 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 61.8 65.18 0.94 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.906 0.384 . . . . 0.0 110.82 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.4 ' CB ' HG13 ' A' ' 66' ' ' VAL . . . -83.81 168.9 15.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -85.99 -60.44 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -124.89 131.29 53.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 66' ' ' VAL . 20.7 m -137.17 143.67 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -137.98 128.54 26.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.563 HG12 ' HD3' ' A' ' 36' ' ' ARG . 11.1 p -116.3 147.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -138.78 161.82 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -150.0 146.32 26.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 p -91.38 -59.34 2.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.468 HG21 ' HG3' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -144.36 165.77 26.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.2 mt -129.17 -45.65 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -88.07 54.78 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.468 ' HG3' HG21 ' A' ' 54' ' ' THR . 4.6 mmp_? -149.17 165.77 30.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.0 m -65.02 -46.72 80.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.4 107.13 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.431 HG22 ' CE2' ' A' ' 62' ' ' PHE . 68.2 m -109.35 109.9 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.27 153.1 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.526 ' HD2' HG23 ' A' ' 94' ' ' ILE . 36.1 m-85 -143.31 153.7 43.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 50' ' ' VAL . 21.4 mtp180 -137.13 132.66 34.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 98' ' ' GLU . 6.3 m -129.89 130.87 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -120.6 134.63 55.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.726 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.726 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.5 t -139.75 142.7 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.8 t -146.87 120.02 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.983 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.52 177.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.985 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.81 -18.15 31.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.361 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -52.91 -31.91 42.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.868 0.366 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.683 ' CE1' HD13 ' A' ' 43' ' ' LEU . 11.9 m-85 -75.03 -31.71 61.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.428 ' HG2' HG22 ' A' ' 103' ' ' THR . 4.0 mm-40 -60.37 -31.08 69.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.64 -35.2 88.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -113.38 159.11 36.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.299 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.22 -167.48 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.574 2.182 . . . . 0.0 112.298 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.501 HD12 ' HD2' ' A' ' 79' ' ' ARG . 5.8 tp -80.84 -30.76 35.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.667 HD12 HE22 ' A' ' 78' ' ' GLN . 0.3 OUTLIER -75.01 -32.93 61.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.667 HE22 HD12 ' A' ' 77' ' ' LEU . 1.5 mp0 -75.03 -47.68 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 83' ' ' VAL . 17.0 ptp180 -58.53 -45.92 87.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -65.14 -35.45 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -70.1 -41.87 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.07 -31.67 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 79' ' ' ARG . 21.5 t -67.4 -58.51 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -33.75 76.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.12 -37.93 72.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -56.55 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.705 HD22 ' CD2' ' A' ' 35' ' ' LEU . 3.6 mt -101.21 41.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.55 89.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -75.12 -39.19 60.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -29.95 60.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.394 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.423 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -47.22 -58.33 7.49 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.572 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.423 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.8 Cg_exo -44.95 -32.77 6.77 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.64 2.227 . . . . 0.0 112.595 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -75.03 -31.22 61.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.642 HD11 HD23 ' A' ' 30' ' ' LEU . 23.5 mm -74.3 118.26 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -66.01 -31.68 72.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -153.39 117.25 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.469 ' HE2' HD13 ' A' ' 35' ' ' LEU . 18.3 t80 -125.2 140.7 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.98 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 64' ' ' VAL . 1.9 tp10 -127.33 125.57 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.763 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -117.82 120.96 39.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.455 ' HB3' HD22 ' A' ' 65' ' ' LEU . 3.0 tmtm? -129.59 119.97 24.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.806 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.413 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 22.1 p -123.28 141.63 51.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.524 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 2.0 mt -149.93 171.51 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.428 HG22 ' HG2' ' A' ' 72' ' ' GLU . 18.0 p -91.25 150.67 41.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.94 -45.51 40.46 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.549 2.166 . . . . 0.0 112.276 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.93 -46.35 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.15 -52.35 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.524 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -60.97 -47.05 88.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.2 m -64.42 -38.39 90.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -77.49 -28.53 52.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -68.7 -12.88 61.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.408 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -125.11 64.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 57.59 168.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.881 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.874 0.368 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -60.34 -74.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.45 97.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.35 -47.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 m -80.09 147.34 31.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.36 171.71 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -74.77 86.15 2.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -129.78 31.25 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -176.74 140.21 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -133.84 116.74 16.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -99.01 31.45 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -109.53 -66.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -176.53 -43.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.42 -130.9 10.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.88 -37.24 16.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.364 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.37 161.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 mt -84.87 135.54 34.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t 59.72 80.41 0.27 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.38 -45.76 1.16 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.572 2.181 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 60.16 176.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.79 -143.7 9.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.455 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -60.34 -175.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.8 -66.31 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.18 -59.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.96 91.56 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.076 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.46 27.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -31.12 69.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -110.04 -24.07 10.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.958 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 64.2 132.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.542 ' HG ' HD11 ' A' ' 94' ' ' ILE . 4.1 mm? -43.83 155.08 0.08 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.642 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.9 m -127.54 149.34 50.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' O ' HG11 ' A' ' 50' ' ' VAL . . . -68.04 -35.41 78.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.98 -31.3 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -60.08 -50.69 72.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.765 HD22 HD13 ' A' ' 87' ' ' LEU . 19.6 mt -71.38 -30.95 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -69.51 -52.65 24.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.61 -31.23 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -68.37 -60.02 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.28 -44.42 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.518 ' HB2' HG21 ' A' ' 48' ' ' VAL . 15.1 ttt-85 -58.1 -46.05 86.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -75.31 -40.44 58.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.89 -60.0 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.646 HD22 ' CE1' ' A' ' 71' ' ' PHE . 4.9 mt -72.39 -22.84 61.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.21 72.52 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.739 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.98 169.68 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -78.16 -59.94 2.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -135.1 130.03 34.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.518 HG21 ' HB2' ' A' ' 40' ' ' ARG . 31.2 m -125.9 147.93 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -137.07 119.98 16.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.439 HG11 ' O ' ' A' ' 32' ' ' ALA . 12.7 p -107.97 155.85 8.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' N ' HG22 ' A' ' 50' ' ' VAL . 4.8 tp10 -135.55 162.82 31.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -150.0 136.8 19.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.5 p -121.26 81.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 54' ' ' THR . 8.1 t -70.31 84.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mt 60.82 31.35 20.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -94.03 -44.18 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -166.23 136.21 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 55.6 m 60.08 36.73 21.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.47 -170.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.052 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.1 p -70.49 108.82 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.7 p -130.09 163.17 27.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -138.76 125.88 21.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -109.72 120.02 41.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.6 m -110.48 129.97 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.203 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.661 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -120.29 138.82 53.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.661 ' N ' HD13 ' A' ' 65' ' ' LEU . 20.0 t -140.78 128.67 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.2 t -128.13 119.98 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.61 -176.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.01 -20.2 16.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.384 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -30.94 56.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.985 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.646 ' CE1' HD22 ' A' ' 43' ' ' LEU . 2.7 m-85 -75.06 -30.74 61.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.626 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.3 OUTLIER -61.48 -34.1 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.1 -30.02 76.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.819 ' HD2' HD11 ' A' ' 82' ' ' LEU . 25.3 mttm -100.47 155.39 36.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.705 0.288 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.4 163.93 30.37 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.62 2.213 . . . . 0.0 112.237 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.01 -30.84 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -31.46 61.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -75.02 -31.02 61.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.9 mtm-85 -59.8 -58.09 10.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -62.15 -45.99 90.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -60.51 -33.5 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.819 HD11 ' HD2' ' A' ' 74' ' ' LYS . 11.1 mt -60.71 -42.04 96.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.5 t -75.05 -33.14 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -71.38 -38.38 71.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.27 -43.67 98.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.977 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -59.37 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.765 HD13 HD22 ' A' ' 35' ' ' LEU . 9.4 mt -97.78 38.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.27 76.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.12 -34.14 61.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.29 -29.89 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.309 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.422 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.1 mt -49.71 -58.07 10.34 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.559 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.1 Cg_exo -44.95 -31.58 5.53 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.56 2.173 . . . . 0.0 112.655 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -75.01 -31.62 61.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.542 HD11 ' HG ' ' A' ' 30' ' ' LEU . 23.2 mm -74.67 116.43 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.16 -34.36 73.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.77 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 116.89 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.952 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.57 ' HE1' HD13 ' A' ' 35' ' ' LEU . 32.4 t80 -120.91 143.06 49.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.977 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.53 119.95 13.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.814 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -118.3 144.8 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.32 119.95 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.2 p -112.92 137.1 51.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.466 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 1.7 mt -149.92 173.34 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.626 HG22 ' HG2' ' A' ' 72' ' ' GLU . 60.9 p -93.01 154.34 41.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 103' ' ' THR . 36.5 Cg_endo -65.54 -29.97 52.35 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.57 2.18 . . . . 0.0 112.212 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.45 -36.23 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -75.13 -45.98 37.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.65 ' CH2' HD11 ' A' ' 65' ' ' LEU . 2.3 t-105 -61.11 -52.41 65.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.9 m -60.04 -29.3 68.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -87.25 -25.51 23.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -66.63 -14.42 62.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.413 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -110.51 33.5 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -103.2 119.49 38.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -39.68 8.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.981 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -105.17 163.74 14.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.59 -50.17 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.763 0.316 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -100.43 82.18 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -147.21 160.7 42.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -162.36 119.12 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -97.72 178.04 5.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.5 m170 60.3 95.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -98.87 35.8 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -126.62 35.26 4.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.29 -32.13 13.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -64.65 162.19 16.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.71 39.6 2.16 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.577 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.95 112.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -127.89 36.31 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 17' ' ' LEU . 7.9 tp 60.81 35.4 19.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.439 HG23 ' HD2' ' A' ' 19' ' ' PRO . 10.3 p -176.26 136.42 0.46 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HD2' HG23 ' A' ' 18' ' ' VAL . 56.1 Cg_endo -70.3 143.98 49.79 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.432 2.088 . . . . 0.0 112.342 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -136.83 -67.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.24 28.15 7.73 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m 61.76 152.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.01 -31.43 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.59 79.24 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.84 140.3 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 111.067 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.18 27.91 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.212 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -30.9 67.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.987 0.422 . . . . 0.0 110.746 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.28 -26.33 9.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -95.18 78.43 3.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.701 HD23 HD11 ' A' ' 94' ' ' ILE . 9.6 mp -43.5 125.92 4.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.587 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -130.26 156.67 44.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.06 97.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -31.3 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -62.09 -51.15 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.791 HD22 HD13 ' A' ' 87' ' ' LEU . 47.1 mt -68.73 -31.31 70.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' NE ' HG23 ' A' ' 48' ' ' VAL . 14.8 ttp180 -73.96 -51.09 17.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.14 -41.08 91.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -60.3 -53.21 60.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.39 -42.71 99.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -59.89 -46.45 89.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -75.26 -46.7 31.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.44 -48.87 79.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.587 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 13.1 mt -83.58 -24.74 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 64.83 47.27 2.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.23 -175.8 4.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.049 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -96.32 -53.46 3.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -135.51 132.59 37.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.427 HG23 ' NE ' ' A' ' 36' ' ' ARG . 15.0 m -129.35 152.34 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -140.46 125.46 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.3 p -114.0 157.38 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 50' ' ' VAL . 4.6 tp10 -138.25 164.81 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -150.0 131.78 15.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.818 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.4 p -97.2 -73.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 58' ' ' CYS . 6.0 m 61.8 115.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.8 mt -59.83 -48.27 82.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -137.99 -74.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -120.65 -60.14 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.539 ' O ' HG23 ' A' ' 54' ' ' THR . 62.9 m -60.39 135.42 57.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.485 ' HB1' ' CE2' ' A' ' 62' ' ' PHE . . . -62.37 161.5 11.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.9 p -142.92 -64.66 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 76.5 p -122.45 160.36 25.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.485 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 57.2 m-85 -149.99 131.4 14.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -103.2 135.9 43.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -131.32 133.15 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.759 HD13 ' N ' ' A' ' 66' ' ' VAL . 3.1 tm? -131.2 137.75 49.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.79 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.759 ' N ' HD13 ' A' ' 65' ' ' LEU . 19.4 t -131.63 135.1 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -130.58 122.44 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 t -175.12 -179.74 1.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.016 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.12 -18.73 17.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.361 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -29.96 59.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.827 0.346 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.587 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 50.0 m-85 -75.13 -30.85 60.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.42 -31.25 69.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.27 -29.94 73.4 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.568 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' CD ' HD11 ' A' ' 82' ' ' LEU . 6.0 mttp -104.63 154.29 38.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.67 0.271 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.9 160.48 33.26 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.571 2.181 . . . . 0.0 112.227 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.83 -36.63 72.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -33.63 76.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -75.0 -30.09 61.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.617 ' HB3' HG21 ' A' ' 101' ' ' THR . 84.2 mtt180 -58.95 -56.93 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -63.99 -44.68 91.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -59.68 -39.16 83.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.416 HD11 ' CD ' ' A' ' 74' ' ' LYS . 4.5 mt -60.52 -46.64 89.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 79' ' ' ARG . 21.5 t -59.46 -40.14 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.171 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -65.53 -31.19 72.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -66.76 -37.36 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.23 -60.09 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.791 HD13 HD22 ' A' ' 35' ' ' LEU . 9.3 mt -102.85 44.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.71 -48.77 75.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -75.04 -34.33 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.145 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -75.19 -30.0 60.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.37 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.417 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -50.2 -58.0 11.04 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.501 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.9 Cg_exo -45.02 -32.24 6.37 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.527 2.152 . . . . 0.0 112.544 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -75.06 -31.89 61.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.701 HD11 HD23 ' A' ' 30' ' ' LEU . 22.1 mm -74.58 116.73 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -60.56 -33.83 73.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.974 0.416 . . . . 0.0 110.641 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.71 116.5 5.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.862 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -122.25 142.53 50.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.053 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -143.35 119.92 11.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -123.36 149.75 44.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.02 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -142.73 145.3 33.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.617 HG21 ' HB3' ' A' ' 79' ' ' ARG . 32.0 p -124.31 133.34 53.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.492 ' CD2' ' NE2' ' A' ' 106' ' ' GLN . 1.8 mt -149.84 159.87 44.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.753 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.52 161.25 65.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.4 -40.87 5.31 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.53 2.154 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -60.28 -34.81 74.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.492 ' NE2' ' CD2' ' A' ' 102' ' ' LEU . 33.2 mt-30 -74.73 -51.02 15.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.434 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 3.1 t-105 -60.37 -50.67 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.0 m -58.55 -30.35 67.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -82.36 -31.24 29.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.5 41.69 1.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.37 64.32 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.86 31.94 21.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.872 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.864 0.364 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.98 -57.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -104.88 65.55 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.528 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.31 -65.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -69.14 144.11 53.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 60.42 97.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.99 36.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -130.0 36.92 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -67.58 -47.34 70.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -91.43 130.31 37.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -109.66 -30.48 7.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.76 114.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m 61.23 155.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.43 27.5 2.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.548 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.52 -178.09 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 t -174.01 153.9 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.23 94.03 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.47 91.51 40.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.68 166.05 27.38 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.549 2.166 . . . . 0.0 112.282 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -111.55 173.46 6.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.16 -44.22 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -84.22 80.69 9.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.31 37.17 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.13 157.44 11.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.69 -179.08 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 111.081 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.15 28.12 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -30.7 67.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.637 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.6 mtp -110.22 -27.05 9.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -82.67 156.85 23.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -43.85 156.67 0.06 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.491 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.62 147.13 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.84 -42.56 85.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.175 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -30.64 70.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -59.34 -55.73 31.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.895 HD22 HD22 ' A' ' 87' ' ' LEU . 34.2 mt -64.87 -31.54 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -66.92 -58.7 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -59.1 -31.03 68.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -60.55 -59.32 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.857 HD22 HG13 ' A' ' 83' ' ' VAL . 3.8 mt -67.49 -31.43 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -55.86 28.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -32.8 61.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.08 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.16 -53.76 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.535 HD13 ' CE1' ' A' ' 71' ' ' PHE . 6.5 mt -89.33 -16.72 30.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 63.17 77.98 0.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.908 0.385 . . . . 0.0 110.779 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.11 174.04 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.074 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -86.57 -58.39 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -132.16 127.43 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.696 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.3 m -128.91 143.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.07 144.52 51.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.7 p -126.23 156.03 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' N ' HG22 ' A' ' 50' ' ' VAL . 2.7 mm-40 -132.37 172.77 12.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -150.08 129.58 13.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.769 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.8 p -144.82 102.58 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.659 HG21 HG23 ' A' ' 60' ' ' THR . 5.9 t -144.81 168.61 19.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -130.24 17.16 5.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 t30 55.33 101.5 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.744 0.306 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -164.54 -76.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -109.31 -66.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.67 ' HB3' ' HB2' ' A' ' 95' ' ' HIS . . . -129.14 -175.79 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.659 HG23 HG21 ' A' ' 54' ' ' THR . 1.6 m -122.35 142.8 50.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.624 ' OG ' ' HB3' ' A' ' 96' ' ' ALA . 67.1 m -108.27 150.68 26.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -150.01 152.2 34.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -118.76 127.05 53.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.438 ' CG2' ' CZ ' ' A' ' 97' ' ' PHE . 31.3 m -103.7 137.7 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.343 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.8 tm? -132.62 132.64 42.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.745 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.7 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.6 t -138.2 144.29 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.8 t -135.43 119.9 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.029 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.79 -175.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -96.92 0.62 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.529 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -59.46 -42.17 91.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CE1' HD13 ' A' ' 43' ' ' LEU . 41.1 m-85 -75.01 -30.74 61.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HG2' HG22 ' A' ' 103' ' ' THR . 2.4 mm-40 -59.54 -45.23 92.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.37 93.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -90.49 156.7 45.3 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.813 0.339 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 179.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.571 2.181 . . . . 0.0 112.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -77.57 -44.23 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.596 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -75.1 -30.95 61.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -62.38 -48.71 78.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 83' ' ' VAL . 5.5 ptp180 -59.51 -38.98 82.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -70.29 -39.95 74.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -73.22 -32.52 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 82' ' ' LEU . 11.0 mt -59.29 -44.82 92.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.857 HG13 HD22 ' A' ' 39' ' ' LEU . 25.7 t -64.52 -45.59 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.542 ' ND2' HD11 ' A' ' 91' ' ' LEU . 1.9 m120 -65.61 -39.08 91.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.9 -36.6 77.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.1 t -61.23 -56.82 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.895 HD22 HD22 ' A' ' 35' ' ' LEU . 4.3 mt -97.34 39.67 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.88 95.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.214 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.14 -37.83 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.27 -29.91 60.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.431 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.542 HD11 ' ND2' ' A' ' 84' ' ' ASN . 6.2 mt -48.5 -58.11 9.1 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.603 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.423 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.0 Cg_exo -44.94 -32.96 6.94 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.569 2.18 . . . . 0.0 112.589 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -75.01 -30.87 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.43 127.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.67 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 31.2 t60 -67.72 -37.03 81.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.399 . . . . 0.0 110.612 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.624 ' HB3' ' OG ' ' A' ' 61' ' ' SER . . . -152.32 117.11 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.438 ' CZ ' ' CG2' ' A' ' 64' ' ' VAL . 33.1 t80 -121.02 135.24 55.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.017 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -124.07 136.03 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.801 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -119.36 121.39 39.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.64 ' O ' HD22 ' A' ' 65' ' ' LEU . 13.9 tptt -133.84 120.98 21.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.859 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 20.1 p -119.04 148.95 42.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.763 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 9.8 mt -150.07 152.53 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.471 HG22 ' HG2' ' A' ' 72' ' ' GLU . 73.0 p -77.67 152.78 80.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.38 -45.28 40.7 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.528 2.152 . . . . 0.0 112.313 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.93 -40.65 89.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -61.71 -52.34 64.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.763 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.5 t-105 -63.13 -49.42 74.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 m -58.96 -31.87 69.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -71.6 -31.72 67.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -106.96 52.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -97.55 41.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 62.56 80.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.855 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 mmm . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.815 0.34 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.3 36.62 20.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -177.64 -47.22 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.1 t -137.21 141.45 42.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -151.43 127.12 10.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -127.66 32.64 4.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -154.38 135.33 13.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -97.67 110.33 22.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -141.43 151.94 43.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -164.82 156.06 14.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -105.88 -45.49 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.68 79.81 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.811 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.73 -45.5 1.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.41 -167.78 39.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.46 -30.92 7.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.902 0.382 . . . . 0.0 111.185 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.22 -169.6 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tp 60.74 28.26 18.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.489 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 4.2 t -84.88 -46.21 0.67 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.435 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 18' ' ' VAL . 51.2 Cg_exo -54.08 105.52 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.28 1.987 . . . . 0.0 112.327 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -122.35 115.84 23.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.49 93.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -106.9 176.29 5.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 60.57 80.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.19 67.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.59 127.23 31.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.2 28.64 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.74 -30.6 71.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.705 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.8 mtp -112.92 -18.77 12.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.246 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 49.04 95.18 0.01 OUTLIER 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.889 0.376 . . . . 0.0 111.267 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.646 HD23 HD11 ' A' ' 94' ' ' ILE . 10.1 mp 61.34 152.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 t -176.66 158.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.68 88.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -31.84 73.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -67.27 -55.49 13.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.819 HD22 HD13 ' A' ' 87' ' ' LEU . 39.4 mt -64.84 -30.86 71.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -69.36 -60.03 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -59.89 -31.16 69.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.68 ' HE2' HD23 ' A' ' 87' ' ' LEU . 21.2 tttt -64.73 -60.12 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.68 ' HB3' HD12 ' A' ' 43' ' ' LEU . 55.7 mt -58.91 -31.52 68.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -60.87 -60.07 4.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -75.19 -39.66 59.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.058 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -59.01 -52.93 63.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' ' 39' ' ' LEU . 7.1 mt -87.44 -18.92 28.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 64.37 79.85 0.25 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.836 0.35 . . . . 0.0 110.829 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.57 161.57 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.47 -44.98 41.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -148.16 138.95 23.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.629 HG12 ' HA ' ' A' ' 66' ' ' VAL . 30.9 m -136.12 156.51 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -140.0 120.05 13.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.817 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -107.1 148.01 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.14 158.98 43.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -150.01 119.99 7.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.791 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.9 p -72.76 -30.53 64.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.27 -69.76 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.9 mt 68.99 -66.15 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 t30 63.16 36.48 12.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -120.28 -51.35 2.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 28.0 p -176.88 37.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -175.35 166.96 3.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 p -146.19 109.5 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 96' ' ' ALA . 1.3 m -108.09 160.88 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -149.99 164.04 36.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -143.25 133.35 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.417 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 31.0 m -124.24 130.83 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.843 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.1 tm? -123.49 138.38 54.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.843 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.3 t -140.01 137.78 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.8 t -137.29 120.0 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.06 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.42 175.28 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.039 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.02 -21.44 21.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.332 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -30.24 52.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.544 ' HE2' HG11 ' A' ' 66' ' ' VAL . 11.3 m-85 -75.09 -30.73 60.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.492 ' HG2' HG22 ' A' ' 103' ' ' THR . 2.8 mm-40 -61.47 -39.38 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.08 -52.25 53.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.666 ' HD3' HD11 ' A' ' 82' ' ' LEU . 20.8 mttt -74.37 155.64 87.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.64 0.257 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.72 167.21 21.75 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.584 2.189 . . . . 0.0 112.219 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.8 tp -59.21 -42.33 90.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.468 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -62.28 -31.07 71.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.877 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -74.83 -35.75 62.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -60.29 -53.49 57.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -64.86 -36.22 83.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -73.73 -32.06 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.666 HD11 ' HD3' ' A' ' 74' ' ' LYS . 10.9 mt -60.17 -40.42 89.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.7 t -74.94 -35.43 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -72.33 -45.89 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -61.07 -34.36 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.9 t -60.29 -57.81 11.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.819 HD13 HD22 ' A' ' 35' ' ' LEU . 9.8 mt -103.62 47.62 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.784 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.58 94.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.215 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.16 -38.57 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.043 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -75.23 -29.95 60.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.453 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.6 mt -47.79 -58.51 7.52 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.533 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.429 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.9 Cg_exo -44.88 -33.26 7.19 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.583 2.188 . . . . 0.0 112.589 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -74.89 -31.64 61.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.646 HD11 HD23 ' A' ' 30' ' ' LEU . 26.6 mm -73.62 110.54 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.44 -33.2 72.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.732 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.4 ' HB3' ' CB ' ' A' ' 61' ' ' SER . . . -149.44 116.63 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.907 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.417 ' HZ ' HG11 ' A' ' 64' ' ' VAL . 26.5 t80 -116.2 137.2 52.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -132.14 120.0 21.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.773 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.84 148.4 42.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 119.98 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.7 p -105.12 140.92 37.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.993 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.55 HD22 ' CB ' ' A' ' 106' ' ' GLN . 3.9 mt -150.01 156.89 42.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.492 HG22 ' HG2' ' A' ' 72' ' ' GLU . 24.0 p -87.24 153.73 54.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.6 -45.79 37.79 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.605 2.203 . . . . 0.0 112.318 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.94 -31.99 70.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.55 ' CB ' HD22 ' A' ' 102' ' ' LEU . 10.0 mm-40 -72.11 -43.31 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.461 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.2 t-105 -75.0 -43.01 56.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.037 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.2 m -57.65 -54.22 49.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -31.14 71.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.62 31.27 2.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.81 33.3 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.06 102.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.928 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 mmt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.77 0.319 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.79 31.04 20.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.97 -40.46 0.45 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 m -64.0 169.34 4.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -92.65 166.09 12.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -175.64 -57.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -86.65 139.77 30.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -125.07 87.9 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -114.86 82.76 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -99.12 35.41 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -60.25 -57.51 12.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 p -113.28 32.77 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -147.05 31.22 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.93 91.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.564 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.38 -48.92 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.9 p -76.36 79.48 3.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.559 HD12 ' HE ' ' A' ' 20' ' ' ARG . 5.4 tp -149.48 29.37 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.485 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 5.5 t -84.61 -46.02 0.7 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.483 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 18' ' ' VAL . 62.3 Cg_exo -51.51 -61.4 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.268 1.978 . . . . 0.0 112.354 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.559 ' HE ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -74.81 121.71 22.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.89 88.25 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.85 141.63 29.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.726 0.298 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -87.57 163.33 16.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.78 -173.84 18.77 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.432 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.29 -45.79 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 111.093 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.43 29.13 5.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -30.66 68.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.586 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 ttt -110.23 -26.68 9.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.932 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -60.6 102.77 0.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 30' ' ' LEU . 9.6 mp 59.93 109.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.27 165.57 23.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' HG21 ' A' ' 50' ' ' VAL . . . -59.68 -44.6 93.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.23 -32.04 73.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -60.62 -53.48 57.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.625 HD13 ' HE2' ' A' ' 97' ' ' PHE . 23.9 mt -71.14 -30.57 66.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HD2' HG12 ' A' ' 50' ' ' VAL . 5.7 ttt180 -67.38 -59.96 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.91 -31.98 71.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.486 ' HD3' HD21 ' A' ' 87' ' ' LEU . 24.5 tttp -67.38 -55.77 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.12 -43.88 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -58.78 -48.53 80.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -75.24 -45.86 37.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.409 ' CG ' ' HG ' ' A' ' 86' ' ' CYS . 24.0 t70 -59.51 -60.01 4.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.494 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 40.2 mt -72.52 -24.2 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 64.4 76.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.15 174.92 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -88.71 -57.85 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -131.26 131.0 43.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.713 HG12 ' HA ' ' A' ' 66' ' ' VAL . 30.6 m -133.62 162.32 39.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.03 120.01 7.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 32' ' ' ALA . 11.3 p -107.23 156.02 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' N ' HG22 ' A' ' 50' ' ' VAL . 9.0 tp10 -143.33 159.98 41.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -150.11 138.58 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.764 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.7 p -106.07 75.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.795 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m 60.24 159.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.1 mt -125.64 65.74 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -108.67 -173.45 2.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.9 mmm-85 -100.21 36.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 64.2 m -126.82 -49.17 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -145.73 144.82 30.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 95' ' ' HIS . 2.1 t -148.51 104.64 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.99 126.63 43.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -114.48 144.48 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -133.28 121.59 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.778 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.463 HG22 ' CE1' ' A' ' 97' ' ' PHE . 29.8 m -119.33 139.7 45.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.729 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -120.59 136.03 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.729 ' N ' HD13 ' A' ' 65' ' ' LEU . 18.1 t -133.95 137.31 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.212 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.0 t -141.92 119.91 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.22 177.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.81 -18.13 24.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.399 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -32.39 57.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.841 0.353 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.494 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 2.7 m-85 -75.07 -30.86 61.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HG2' HG22 ' A' ' 103' ' ' THR . 2.8 mm-40 -60.01 -32.02 70.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.71 96.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.425 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.708 ' HD2' HD11 ' A' ' 82' ' ' LEU . 86.6 mttt -91.45 160.14 37.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.659 0.266 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.55 167.85 17.94 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.541 2.161 . . . . 0.0 112.241 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.18 -45.91 89.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.03 -30.96 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -75.07 -30.38 60.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -59.07 -57.79 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -62.68 -37.2 85.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -31.28 70.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.708 HD11 ' HD2' ' A' ' 74' ' ' LYS . 3.2 mt -62.15 -49.14 77.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.483 ' HB ' ' NE2' ' A' ' 99' ' ' GLN . 29.0 t -62.0 -32.43 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.624 ' HA ' HD11 ' A' ' 91' ' ' LEU . 38.8 m-20 -71.82 -40.89 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.75 -33.34 75.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.409 ' HG ' ' CG ' ' A' ' 42' ' ' ASP . 2.4 t -60.19 -59.99 4.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.611 HD13 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -108.14 45.68 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.69 -31.41 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -75.25 -49.05 20.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -75.3 -29.73 60.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.345 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' A' ' 84' ' ' ASN . 5.7 mt -44.77 -60.2 3.3 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 91' ' ' LEU . 7.9 Cg_endo -50.67 -29.86 26.93 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.424 2.083 . . . . 0.0 112.282 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -74.13 -29.96 62.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.79 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.6 mm -71.25 118.04 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.443 ' CB ' HG23 ' A' ' 60' ' ' THR . 3.3 t60 -65.05 -31.33 72.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -155.09 116.73 4.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.0 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.625 ' HE2' HD13 ' A' ' 35' ' ' LEU . 8.3 t80 -126.12 146.32 49.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.994 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.424 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 0.4 OUTLIER -139.87 120.02 13.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.777 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.483 ' NE2' ' HB ' ' A' ' 83' ' ' VAL . 2.0 pt20 -116.3 136.4 53.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.423 ' HB2' HD22 ' A' ' 65' ' ' LEU . 6.1 mtmt -130.04 119.99 24.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.819 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.1 p -115.15 134.32 55.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.481 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 1.7 mt -149.97 167.37 26.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.471 HG22 ' HG2' ' A' ' 72' ' ' GLU . 81.5 p -87.13 154.82 55.03 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 103' ' ' THR . 36.2 Cg_endo -65.23 -30.83 54.52 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.52 2.147 . . . . 0.0 112.187 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.42 -34.79 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -74.95 -49.04 21.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.622 ' CH2' HD11 ' A' ' 65' ' ' LEU . 2.0 t-105 -59.54 -43.53 93.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.2 m -59.67 -30.69 68.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -71.98 -30.98 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.03 38.5 3.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.69 33.46 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -109.36 129.65 55.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.913 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.6 mtt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.783 0.325 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.85 32.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.91 125.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.537 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 p -101.26 177.51 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.336 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -103.14 79.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -99.17 31.5 3.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.06 149.39 45.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -128.81 153.38 47.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 60.34 92.19 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -100.8 -67.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -152.9 79.75 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.0 m -106.2 -32.48 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 p -107.75 136.16 47.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.21 -132.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.542 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.85 36.96 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.086 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.493 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -61.14 -53.97 50.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mt 60.27 35.82 20.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 16' ' ' SER . 21.4 t -129.59 88.34 50.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -51.98 145.34 33.37 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.621 2.214 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.32 -58.93 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 151.6 -162.37 29.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.9 m -151.1 -53.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.59 101.65 11.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.31 91.89 0.65 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -160.96 174.03 14.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.736 0.303 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.17 -162.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 27' ' ' THR . 22.0 m 61.26 19.49 10.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.96 0.41 . . . . 0.0 110.506 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttt 178.57 -33.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.778 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.99 104.57 0.31 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.873 HD12 HD11 ' A' ' 94' ' ' ILE . 4.1 mm? -43.73 141.52 1.51 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.515 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -154.03 155.31 35.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.49 ' O ' HG21 ' A' ' 50' ' ' VAL . . . -68.5 -56.8 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.93 -31.42 69.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.24 -58.0 10.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.101 HD22 HD13 ' A' ' 87' ' ' LEU . 36.5 mt -61.8 -31.08 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.611 ' NE ' HG23 ' A' ' 48' ' ' VAL . 5.1 ttp180 -71.29 -59.17 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.74 -30.83 69.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -69.96 -60.04 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.542 HD22 HG13 ' A' ' 83' ' ' VAL . 31.5 mt -61.07 -38.31 85.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -58.13 -51.42 69.79 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -75.33 -40.6 58.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.27 -60.04 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mt -76.82 -20.91 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 64.07 80.05 0.24 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.55 168.62 9.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.66 -56.4 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -132.25 132.28 42.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.611 HG23 ' NE ' ' A' ' 36' ' ' ARG . 15.9 m -126.67 145.77 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -139.35 120.02 14.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.813 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 32' ' ' ALA . 12.2 p -107.63 150.84 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -132.9 162.91 30.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' OD1' HG22 ' A' ' 54' ' ' THR . 24.8 t0 -150.04 140.47 22.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.794 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.448 ' O ' HG21 ' A' ' 60' ' ' THR . 28.6 p -121.71 83.67 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.546 ' HB ' HG21 ' A' ' 60' ' ' THR . 9.7 t -176.7 143.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 mt -85.69 -33.0 21.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -107.41 -177.19 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 -99.1 78.46 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.7 m -129.72 42.27 3.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.4 ' O ' ' CE2' ' A' ' 62' ' ' PHE . . . 64.16 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.546 HG21 ' HB ' ' A' ' 54' ' ' THR . 0.2 OUTLIER 59.15 -170.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.432 ' H ' HG22 ' A' ' 60' ' ' THR . 1.2 m -74.2 163.8 27.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' A' ' 59' ' ' ALA . 36.5 m-85 -150.03 151.11 32.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 ttp85 -123.91 128.99 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.418 HG21 ' CE1' ' A' ' 97' ' ' PHE . 13.3 m -120.42 130.09 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -122.88 139.42 54.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.785 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.5 t -143.16 132.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.1 t -132.3 119.99 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.005 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.92 172.68 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.83 -19.63 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.285 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.61 -31.04 56.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.058 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 2.7 m-85 -74.96 -31.18 61.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -41.28 93.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.04 -30.08 66.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -104.0 155.38 37.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.701 0.286 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.49 -173.0 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.539 2.159 . . . . 0.0 112.261 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 76' ' ' LEU . 6.0 tt -79.3 -31.78 43.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -75.03 -31.56 61.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.01 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -72.71 -48.85 35.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 4.3 ptp180 -59.64 -38.7 82.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -50.04 45.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -64.6 -31.11 72.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.2 -51.03 71.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.542 HG13 HD22 ' A' ' 39' ' ' LEU . 27.4 t -62.43 -36.2 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.33 -40.01 74.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -60.3 -38.18 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.14 -58.43 8.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.101 HD13 HD22 ' A' ' 35' ' ' LEU . 4.9 mt -103.82 54.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.62 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.192 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -75.04 -33.39 61.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.019 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.517 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -75.21 -29.9 60.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.345 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.1 mt -50.27 -58.5 9.51 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.492 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.1 Cg_exo -45.0 -32.14 6.2 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.566 2.177 . . . . 0.0 112.607 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -74.99 -31.75 61.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.873 HD11 HD12 ' A' ' 30' ' ' LEU . 24.7 mm -73.76 112.33 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -60.22 -36.41 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.718 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.4 116.69 5.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.507 ' HE2' HD13 ' A' ' 35' ' ' LEU . 24.3 t80 -115.71 144.44 43.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -145.16 120.02 9.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.09 154.84 34.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.64 124.58 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.0 p -113.98 136.05 53.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.657 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.2 mt -146.1 160.37 42.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.8 p -82.34 148.59 59.67 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.5 -43.1 57.25 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.577 2.185 . . . . 0.0 112.266 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.7 -45.38 92.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.448 ' CD ' HD22 ' A' ' 102' ' ' LEU . 49.2 mt-30 -60.29 -49.9 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.657 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -62.67 -30.02 71.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.0 m -58.0 -31.5 67.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.5 mmm-85 -63.74 -31.5 72.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -132.93 79.67 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -96.57 41.02 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -62.41 108.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.899 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.847 0.356 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -74.23 118.01 16.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.29 138.03 4.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.539 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.42 93.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.9 163.25 40.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 158.68 34.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -147.03 33.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -74.93 -68.91 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -167.89 179.48 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -152.53 111.06 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.3 m170 60.52 164.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.37 -48.26 4.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.6 p -154.7 124.15 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.43 125.0 7.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.561 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.18 125.01 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 76.7 p -128.85 173.1 10.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mt -109.41 -30.56 7.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -103.95 90.97 3.28 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.5 160.28 49.93 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.549 2.166 . . . . 0.0 112.231 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.8 87.82 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.61 130.01 5.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -128.54 31.75 4.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -131.27 -51.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.1 170.81 46.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -162.49 135.92 6.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.795 0.331 . . . . 0.0 111.153 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.4 -23.36 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.297 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.7 t -48.39 -34.07 10.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.03 0.443 . . . . 0.0 110.717 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.0 mtp -104.62 -23.93 13.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.914 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.83 119.95 20.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.823 0.344 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.436 HD21 ' CB ' ' A' ' 93' ' ' HIS . 10.1 mp 59.91 105.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m -135.33 158.38 44.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.99 -55.57 33.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.48 -30.0 70.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.025 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -58.92 -49.51 77.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.014 HD22 HD11 ' A' ' 87' ' ' LEU . 23.1 mt -71.39 -31.21 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.546 ' NE ' HG23 ' A' ' 48' ' ' VAL . 11.3 ttp180 -67.58 -56.29 10.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.28 -31.19 70.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.026 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -59.82 -59.96 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.68 HD21 HG13 ' A' ' 83' ' ' VAL . 76.8 mt -62.2 -30.04 70.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -58.98 5.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.331 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.23 -29.97 60.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.189 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.92 -49.51 75.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.03 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.505 HD13 ' CZ ' ' A' ' 71' ' ' PHE . 4.8 mt -114.13 9.5 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.424 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 52.5 95.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.768 0.318 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.553 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -115.15 154.33 29.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -81.94 -41.36 20.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -146.71 127.0 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.3 m -128.74 155.41 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.06 133.06 16.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 51' ' ' GLU . 10.7 p -110.72 158.37 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 50' ' ' VAL . 17.1 tp10 -136.09 163.21 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.006 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -148.7 121.15 8.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.716 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.3 p -59.07 -42.25 89.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 t -177.41 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' HG ' ' CZ ' ' A' ' 62' ' ' PHE . 0.7 OUTLIER 70.97 124.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.056 0.455 . . . . 0.0 110.937 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -137.19 -169.55 2.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -95.0 -34.63 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 69.1 m -88.32 -45.76 9.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.62 169.01 9.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.9 p -157.07 169.73 24.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.25 136.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.413 ' CZ ' ' HG ' ' A' ' 55' ' ' LEU . 87.6 m-85 -150.09 149.59 30.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -123.51 119.97 31.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.613 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.535 ' HB ' HD12 ' A' ' 39' ' ' LEU . 30.5 m -101.17 124.77 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.278 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.4 tm? -116.44 138.0 51.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.737 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.83 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.4 t -144.99 136.89 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.263 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.6 t -127.14 119.97 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.002 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -176.97 178.14 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -92.14 -17.5 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.44 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -33.19 26.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.785 0.326 . . . . 0.0 111.103 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.505 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 40.7 m-85 -75.06 -31.15 61.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.551 ' HG2' HG22 ' A' ' 103' ' ' THR . 3.8 mm-40 -62.97 -30.83 71.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.51 -49.46 37.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -85.61 148.04 48.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.679 0.276 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.63 -169.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.55 2.166 . . . . 0.0 112.332 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.694 HD23 ' O ' ' A' ' 76' ' ' LEU . 6.3 tt -83.01 -37.41 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 78' ' ' GLN . 4.1 pp -75.04 -30.57 61.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.996 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.408 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -71.6 -44.41 64.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -59.32 -40.13 85.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.838 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -71.79 -38.02 70.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 -69.28 -31.4 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.2 -49.71 73.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.68 HG13 HD21 ' A' ' 39' ' ' LEU . 21.9 t -59.92 -33.89 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 95.5 m-20 -70.93 -29.93 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.97 -60.07 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.0 p -63.15 -40.02 96.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.014 HD11 HD22 ' A' ' 35' ' ' LEU . 2.0 mm? -98.54 29.78 3.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 84' ' ' ASN . . . -71.61 -45.54 61.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.39 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.09 -38.0 61.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.08 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.657 ' HB2' HD13 ' A' ' 87' ' ' LEU . 1.4 mp0 -75.4 -30.0 59.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.413 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 91' ' ' LEU . 3.3 mt -48.19 -57.53 10.27 Favored Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.685 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 81.8 Cg_exo -44.7 -33.85 7.49 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.53 2.153 . . . . 0.0 112.579 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.436 ' CB ' HD21 ' A' ' 30' ' ' LEU . 67.0 m-70 -75.07 -31.0 61.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.704 HG21 ' HD1' ' A' ' 97' ' ' PHE . 22.4 mm -75.69 110.46 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.27 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -32.33 72.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.471 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -149.18 116.24 6.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.801 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.704 ' HD1' HG21 ' A' ' 94' ' ' ILE . 8.5 t80 -117.45 138.64 51.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.039 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.63 119.97 14.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.705 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -109.07 151.25 26.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -147.27 119.99 8.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.806 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 p -114.03 132.03 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.668 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 6.6 mt -141.4 145.62 35.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.551 HG22 ' HG2' ' A' ' 72' ' ' GLU . 64.7 p -74.68 154.34 87.35 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.17 -47.8 25.56 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.549 2.166 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.02 -41.05 86.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.69 -41.94 96.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.668 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.1 t-105 -73.57 -37.41 65.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.1 m -59.94 -30.99 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -88.41 -30.42 19.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -97.09 39.58 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.91 63.23 2.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.21 94.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.194 -0.907 . . . . 0.0 110.964 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttt . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.741 0.305 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -152.67 121.25 6.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.48 70.81 1.0 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.552 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m -61.72 123.0 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -104.74 -31.34 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 61.74 83.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.19 79.12 1.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -162.62 120.69 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -139.96 137.91 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -92.29 79.66 5.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -71.29 168.43 17.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.66 146.22 48.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.9 p -90.7 -57.03 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.61 72.03 0.68 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.96 73.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -103.99 39.99 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.1 tt 61.52 30.3 18.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t 58.18 94.45 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.82 129.29 19.44 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.445 2.096 . . . . 0.0 112.286 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 169.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.33 -109.79 0.35 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.43 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m 58.5 -178.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.336 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.59 101.34 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.77 -56.36 6.64 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.5 -169.43 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.23 24.88 5.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.278 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -61.4 -30.07 70.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.887 0.375 . . . . 0.0 110.657 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.42 -23.08 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.068 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -55.48 119.04 5.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -43.95 164.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.596 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m -161.75 147.46 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.36 -53.83 25.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.191 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -30.56 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -59.73 -55.04 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.969 HD22 HD13 ' A' ' 87' ' ' LEU . 40.6 mt -65.28 -31.28 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.403 ' HD3' HG12 ' A' ' 50' ' ' VAL . 11.9 ttp180 -68.09 -60.0 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.44 -40.48 96.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -60.04 -56.05 26.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.609 ' CD1' HG21 ' A' ' 64' ' ' VAL . 61.7 mt -60.17 -41.35 92.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.612 ' HB2' HG21 ' A' ' 48' ' ' VAL . 27.8 ttp180 -59.01 -45.25 91.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -75.32 -46.35 33.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.03 -49.74 76.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -80.9 -21.22 40.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 62.55 43.66 7.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.94 0.4 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.69 164.02 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.44 -61.15 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -130.31 147.75 52.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.612 HG21 ' HB2' ' A' ' 40' ' ' ARG . 30.8 m -145.83 159.73 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.195 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.01 129.2 12.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.491 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.2 p -108.9 158.46 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' N ' HG22 ' A' ' 50' ' ' VAL . 18.3 tp10 -147.29 163.69 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -146.09 120.93 9.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.766 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.9 p -67.01 -73.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.6 m 62.41 148.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -108.52 -52.29 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -127.22 -45.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 -137.33 -57.94 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.7 m -151.21 119.34 6.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.34 23.8 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.359 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 55.6 -165.14 0.12 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 m 64.57 129.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -150.02 151.64 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.017 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -126.24 149.04 49.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.802 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.609 HG21 ' CD1' ' A' ' 39' ' ' LEU . 30.3 m -141.75 154.15 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.248 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -116.6 137.05 52.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.778 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.665 ' N ' HD13 ' A' ' 65' ' ' LEU . 19.3 t -133.19 125.76 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.416 HG23 HD12 ' A' ' 65' ' ' LEU . 21.8 t -133.52 119.96 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.92 165.09 3.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.35 -19.14 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.422 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -33.54 54.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.851 0.358 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' CD2' ' HB ' ' A' ' 101' ' ' THR . 2.7 m-85 -74.9 -30.9 61.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.986 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.765 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.4 OUTLIER -61.01 -31.05 70.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.91 -34.08 76.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.482 ' HD2' HD11 ' A' ' 82' ' ' LEU . 68.1 mttm -101.3 152.85 38.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.676 0.274 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.52 170.29 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.579 2.186 . . . . 0.0 112.276 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.93 -49.77 66.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 78' ' ' GLN . 4.0 pp -64.71 -31.49 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.481 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.3 tp-100 -65.48 -30.03 70.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -59.25 -54.95 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -60.36 -35.85 76.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -40.15 92.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.482 HD11 ' HD2' ' A' ' 74' ' ' LYS . 11.6 mt -63.68 -46.17 86.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.73 -37.93 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -66.96 -35.43 79.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.15 -37.58 87.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.06 -60.0 4.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.969 HD13 HD22 ' A' ' 35' ' ' LEU . 8.4 mt -99.58 47.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.19 -53.11 61.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.2 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -75.07 -32.57 61.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.2 -29.87 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.386 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.1 mt -51.41 -58.03 12.17 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.527 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.421 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.1 Cg_exo -44.96 -31.9 5.89 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.654 2.236 . . . . 0.0 112.541 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -74.98 -31.78 61.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.3 mm -74.99 117.12 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -63.36 -35.79 81.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.677 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.54 116.48 4.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.449 ' HE1' HD13 ' A' ' 35' ' ' LEU . 33.5 t80 -119.02 142.64 47.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.043 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -139.82 119.93 13.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.815 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -119.59 130.54 55.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.969 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.613 ' HB2' HD22 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -117.2 123.43 46.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.413 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 18.8 p -120.19 132.66 55.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.682 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 4.7 mt -144.94 165.91 26.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.765 HG22 ' HG2' ' A' ' 72' ' ' GLU . 16.7 p -79.56 147.6 67.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.19 -47.47 26.81 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.56 2.174 . . . . 0.0 112.262 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.91 -40.81 90.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.413 ' OE1' HD22 ' A' ' 102' ' ' LEU . 2.8 mt-30 -61.33 -55.01 36.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.682 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.9 t-105 -59.06 -34.46 71.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.2 m -60.03 -43.1 95.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -97.99 26.72 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -116.63 -9.18 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.383 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -131.79 71.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.9 -175.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.831 0.348 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 176.27 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.26 36.26 24.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.544 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 m 60.54 109.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -60.62 -65.32 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -73.13 98.64 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.95 157.54 18.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -176.63 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -59.93 127.19 30.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -149.05 84.2 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 60.52 34.12 20.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.67 -52.0 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 t -82.86 163.57 21.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.13 -52.1 0.96 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.72 92.52 3.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.794 0.331 . . . . 0.0 111.052 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.37 99.98 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 mt -133.32 56.09 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.79 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.6 t -114.0 88.4 14.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.81 160.22 3.03 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.55 2.167 . . . . 0.0 112.327 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.45 -176.43 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.13 -153.21 7.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 m -124.0 129.14 50.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.86 0.362 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -115.49 137.94 51.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.74 28.51 5.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.48 161.03 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.572 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -98.35 28.37 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -58.9 -30.72 68.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.59 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.2 tpp -109.79 -26.27 9.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.572 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 66.1 mt-10 -96.41 130.72 43.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -43.89 141.43 1.62 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.495 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.41 147.14 47.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.79 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -59.97 -45.04 93.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -60.7 -31.09 70.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -61.29 -48.45 81.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 87' ' ' LEU . 46.8 mt -68.25 -36.94 80.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HD3' HG12 ' A' ' 50' ' ' VAL . 36.9 ttp180 -69.18 -53.6 19.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.22 -30.71 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -63.8 -60.06 3.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.686 HD21 HD23 ' A' ' 87' ' ' LEU . 3.5 mt -66.84 -30.0 70.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD3' HG21 ' A' ' 48' ' ' VAL . 20.5 ttp85 -57.56 -55.48 34.26 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.24 -30.61 60.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.065 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -57.02 10.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.62 -14.73 39.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.265 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 61.22 59.37 1.98 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.013 0.435 . . . . 0.0 110.807 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.85 174.27 11.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.152 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -94.01 -52.5 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -125.48 134.49 52.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.454 HG21 ' HD3' ' A' ' 40' ' ' ARG . 31.5 m -131.79 145.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -143.44 124.82 14.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.79 HG22 ' HB1' ' A' ' 32' ' ' ALA . 11.5 p -127.04 145.69 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -144.26 165.09 28.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -139.46 127.2 21.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.743 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.4 p -98.25 35.51 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.613 ' HB ' HG23 ' A' ' 60' ' ' THR . 0.2 OUTLIER -161.75 175.87 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 mt -139.82 -50.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -72.84 156.95 38.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -70.06 -173.81 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.32 110.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.5 84.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.613 HG23 ' HB ' ' A' ' 54' ' ' THR . 0.2 OUTLIER -129.24 120.31 25.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.495 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 2.2 p -84.59 156.4 21.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -150.06 150.21 31.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -127.72 140.57 51.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.768 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.36 146.87 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.601 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -133.52 133.94 42.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.833 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.601 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.4 t -134.85 128.0 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.234 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 t -134.33 119.87 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.89 179.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.59 -16.74 41.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.413 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -51.72 -33.42 34.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.82 0.343 . . . . 0.0 111.062 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.437 ' CD2' ' HB ' ' A' ' 101' ' ' THR . 23.2 m-85 -74.9 -30.66 61.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.62 -31.61 72.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.42 -49.77 74.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' HE3' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -97.06 159.64 30.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.708 0.289 . . . . 0.0 110.958 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.38 -175.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.178 . . . . 0.0 112.334 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tp -79.81 -44.31 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 78' ' ' GLN . 4.1 pp -75.06 -31.08 61.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.411 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -66.9 -48.07 69.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -59.58 -38.66 81.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -62.05 -39.24 91.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -70.53 -30.77 67.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.414 HD11 ' HE3' ' A' ' 74' ' ' LYS . 11.4 mt -58.93 -45.24 90.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.627 HG13 HD22 ' A' ' 39' ' ' LEU . 21.3 t -67.59 -36.49 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -74.92 -37.34 62.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.73 -51.12 71.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.0 t -60.07 -39.33 85.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.686 HD23 HD21 ' A' ' 39' ' ' LEU . 3.0 mm? -98.12 26.35 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.87 -43.22 96.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.391 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.14 -40.82 59.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.207 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -75.33 -32.53 60.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.689 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.7 mt -45.34 -57.02 8.16 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.749 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -44.72 -35.99 10.0 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.584 2.19 . . . . 0.0 112.501 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -75.12 -31.02 61.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.468 HG21 ' HD2' ' A' ' 97' ' ' PHE . 23.1 mm -74.79 113.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.287 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -61.18 -33.7 73.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.007 0.432 . . . . 0.0 110.462 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 61' ' ' SER . . . -150.04 116.27 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.749 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.533 ' HE2' HD13 ' A' ' 35' ' ' LEU . 11.4 t80 -116.81 120.66 39.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -128.95 119.95 25.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.717 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.37 141.52 51.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.33 120.03 27.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.789 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.437 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 73.4 p -109.16 135.14 50.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.768 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 6.6 mt -149.69 163.72 37.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.1 p -80.23 153.14 74.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.27 -53.98 5.99 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.53 2.154 . . . . 0.0 112.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.46 -36.31 75.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -44.38 97.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.768 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -74.87 -34.93 62.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.05 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.9 m -58.72 -31.14 68.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -79.82 -31.39 40.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -98.85 45.86 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -97.17 39.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -80.9 136.86 36.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.885 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.684 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -59.97 -47.03 87.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -31.4 72.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -63.08 -52.27 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.672 HD22 HD13 ' A' ' 87' ' ' LEU . 38.4 mt -71.79 -31.34 66.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HD3' HG12 ' A' ' 50' ' ' VAL . 6.2 ttp180 -67.94 -57.73 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.07 -39.93 87.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -60.41 -50.29 74.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.74 -39.58 87.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -59.84 -50.66 72.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -38.95 60.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.7 -50.99 64.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.535 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 19.4 mt -84.19 -21.32 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 63.3 77.88 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.45 -176.66 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -100.86 -54.74 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -129.62 131.19 46.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.409 HG12 HG22 ' A' ' 66' ' ' VAL . 22.3 m -135.83 147.94 28.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -140.32 120.13 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.684 ' CG2' ' HB1' ' A' ' 32' ' ' ALA . 11.4 p -107.52 149.81 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -142.65 162.93 34.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.818 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.781 0.324 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -131.55 130.08 41.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -111.73 130.29 55.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.8 m -127.88 136.05 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.745 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -125.01 142.08 51.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.745 ' N ' HD13 ' A' ' 65' ' ' LEU . 22.4 t -143.99 130.78 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -126.42 119.89 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.17 -176.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -103.01 -17.21 15.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.369 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.03 -30.28 47.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.908 0.385 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.535 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 9.1 m-85 -75.04 -31.58 61.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -41.53 93.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.84 -32.03 69.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.545 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.653 ' HD3' HD11 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -100.69 151.32 37.56 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.26 161.38 2.68 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.591 2.194 . . . . 0.0 112.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.29 -48.32 82.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.585 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -66.76 -30.79 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -66.53 -31.4 72.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -62.48 -56.66 15.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -61.58 -43.52 98.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -31.46 72.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.02 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.653 HD11 ' HD3' ' A' ' 74' ' ' LYS . 5.7 mt -64.21 -47.87 78.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.22 -33.12 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -72.45 -35.69 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.88 -39.77 94.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -59.47 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.672 HD13 HD22 ' A' ' 35' ' ' LEU . 7.2 mt -95.17 45.04 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.0 89.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.1 -35.56 61.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -75.27 -29.82 60.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.297 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.3 mt -49.49 -58.45 9.04 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.483 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.5 Cg_exo -44.9 -32.55 6.43 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.572 2.181 . . . . 0.0 112.619 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -74.93 -31.55 61.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.016 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.6 mm -74.05 114.45 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -65.23 -32.12 73.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.711 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 117.0 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.447 ' CE1' ' NE2' ' A' ' 99' ' ' GLN . 4.6 t80 -123.23 137.85 54.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.64 119.99 13.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.447 ' NE2' ' CE1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -121.53 152.44 39.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.49 120.07 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.9 p -111.17 140.64 45.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.656 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.8 mt -149.98 179.99 7.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.18 159.04 30.61 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.83 -29.99 41.18 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.469 2.112 . . . . 0.0 112.244 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -71.92 -43.05 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.791 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -66.17 -47.24 74.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.669 ' CH2' HD11 ' A' ' 65' ' ' LEU . 2.1 t-105 -60.14 -57.27 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -69.21 -53.9 17.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -59.87 -30.09 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -58.94 -57.38 13.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.647 HD22 HD22 ' A' ' 87' ' ' LEU . 48.0 mt -65.86 -31.12 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -68.05 -54.6 17.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -59.56 -30.6 68.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -69.21 -58.82 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.482 HD22 HG13 ' A' ' 83' ' ' VAL . 58.3 mt -58.63 -32.5 69.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.023 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.6 ttp85 -59.83 -53.27 59.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -75.25 -32.19 61.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.043 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.94 -52.63 64.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.5 mt -98.19 -7.09 30.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.374 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 58.81 35.05 24.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.885 0.374 . . . . 0.0 110.806 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 165.72 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.57 -62.67 1.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.796 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.53 143.67 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.4 m -146.04 158.16 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -150.03 121.07 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.0 p -105.19 158.33 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.486 ' N ' HG22 ' A' ' 50' ' ' VAL . 3.8 tt0 -141.82 167.99 20.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.796 -179.874 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.777 0.322 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -140.5 150.93 44.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -138.39 120.07 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.644 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.441 HG12 HG23 ' A' ' 50' ' ' VAL . 29.6 m -118.63 154.27 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.322 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -123.44 137.85 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.74 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.763 ' N ' HD13 ' A' ' 65' ' ' LEU . 22.0 t -130.9 131.22 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.22 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.411 HG23 ' CD1' ' A' ' 65' ' ' LEU . 34.1 t -140.39 119.94 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.984 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.65 178.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.44 -18.6 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.355 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -50.62 -35.02 28.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.852 0.358 . . . . 0.0 111.061 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.449 ' CE2' ' HB ' ' A' ' 101' ' ' THR . 20.3 m-85 -75.06 -30.91 61.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.416 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.7 OUTLIER -61.75 -47.29 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.89 -59.99 9.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.65 ' HD3' HD11 ' A' ' 82' ' ' LEU . 14.6 mttp -77.83 157.48 79.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.691 0.281 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.4 -167.79 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.525 2.15 . . . . 0.0 112.3 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tt -83.78 -33.41 24.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.464 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -75.0 -32.75 61.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -73.06 -45.68 56.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 13.5 ptp180 -59.73 -44.26 93.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -63.13 -36.14 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -74.35 -32.31 62.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.65 HD11 ' HD3' ' A' ' 74' ' ' LYS . 9.1 mt -58.89 -49.99 75.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.482 HG13 HD22 ' A' ' 39' ' ' LEU . 22.0 t -61.44 -43.58 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.84 -40.54 83.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.37 -37.46 77.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.21 -57.48 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.647 HD22 HD22 ' A' ' 35' ' ' LEU . 4.8 mt -97.34 46.66 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.18 73.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.177 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.08 -34.55 61.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.07 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -75.14 -29.91 60.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.379 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.0 mt -50.24 -58.24 10.31 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.445 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.422 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.2 Cg_exo -44.78 -32.44 6.09 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.661 2.241 . . . . 0.0 112.521 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -74.98 -31.45 61.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.9 mm -75.05 114.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -65.95 -31.5 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.725 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -154.31 116.79 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.475 ' HE2' HD13 ' A' ' 35' ' ' LEU . 21.6 t80 -120.29 139.3 52.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -148.11 119.99 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -135.77 147.84 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -113.85 166.09 11.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.449 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 18.4 p -148.24 131.75 16.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.62 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 8.2 mt -149.36 161.57 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.452 ' HG1' ' HB2' ' A' ' 106' ' ' GLN . 25.8 p -84.53 155.26 62.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.54 -48.35 21.87 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.574 2.183 . . . . 0.0 112.248 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -31.0 68.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.452 ' HB2' ' HG1' ' A' ' 103' ' ' THR . 20.5 mt-30 -73.56 -53.88 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.62 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.4 t-105 -64.19 -47.71 78.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.996 -179.891 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.57 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -59.6 -49.2 78.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -31.54 70.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -60.38 -52.74 63.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.761 HD22 HD22 ' A' ' 87' ' ' LEU . 34.1 mt -69.39 -30.82 68.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -69.54 -57.98 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -59.47 -36.6 76.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -60.21 -60.0 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.818 HD22 HG13 ' A' ' 83' ' ' VAL . 8.1 mt -66.54 -31.67 72.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -69.92 -44.21 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -75.44 -41.67 55.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.66 -51.61 69.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.743 HD13 ' CZ ' ' A' ' 71' ' ' PHE . 11.9 mt -85.52 -20.17 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 62.15 41.97 10.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.402 ' CB ' HG13 ' A' ' 66' ' ' VAL . . . -61.49 -177.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -96.37 -54.6 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.09 129.46 34.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 66' ' ' VAL . 29.4 m -128.12 160.16 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -147.82 127.38 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.57 HG22 ' HB1' ' A' ' 32' ' ' ALA . 11.1 p -122.73 143.84 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -139.17 174.06 10.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.5 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -149.98 149.58 30.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 50' ' ' VAL . 1.1 mtt180 -130.81 139.45 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.7 m -130.43 132.74 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -115.09 137.42 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.758 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.6 t -142.82 136.35 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.2 t -142.81 119.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.043 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.94 -178.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.11 -15.62 31.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.412 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -52.55 -35.91 54.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 0.0 111.059 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.743 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 12.0 m-85 -75.13 -30.35 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.001 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.0 -31.36 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.47 -30.04 76.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.59 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.777 ' CD ' HD11 ' A' ' 82' ' ' LEU . 10.7 mttm -112.13 154.68 44.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.48 173.01 8.32 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.562 2.174 . . . . 0.0 112.302 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.8 tp -58.43 -43.34 88.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 78' ' ' GLN . 3.5 pp -59.4 -32.87 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.409 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.6 tp60 -74.97 -37.02 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 83' ' ' VAL . 67.2 mtt180 -59.51 -43.45 93.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -74.85 -49.25 21.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -60.4 -34.12 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.777 HD11 ' CD ' ' A' ' 74' ' ' LYS . 11.0 mt -61.68 -55.61 28.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.818 HG13 HD22 ' A' ' 39' ' ' LEU . 30.2 t -60.42 -32.6 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.45 ' OD1' HD11 ' A' ' 91' ' ' LEU . 24.2 m-20 -70.32 -41.64 73.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -65.16 -34.76 79.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -60.04 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.835 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.761 HD22 HD22 ' A' ' 35' ' ' LEU . 3.8 mt -99.99 38.01 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.6 91.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -75.16 -42.16 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.29 -29.98 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.449 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.45 HD11 ' OD1' ' A' ' 84' ' ' ASN . 6.2 mt -46.49 -58.49 6.6 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.664 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.7 Cg_exo -44.9 -33.56 7.6 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.644 2.229 . . . . 0.0 112.517 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -74.97 -30.47 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.4 127.97 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -74.89 -34.12 62.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.699 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.09 116.89 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.957 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.574 ' HE2' HD13 ' A' ' 35' ' ' LEU . 40.0 t80 -120.68 136.31 54.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -138.66 127.78 24.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.75 158.23 40.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -144.67 120.13 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.5 p -108.85 133.77 52.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.777 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 9.3 mt -147.27 164.52 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.1 p -88.84 154.62 50.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.44 -48.98 19.02 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.563 2.175 . . . . 0.0 112.286 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.6 -33.96 72.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -70.47 -42.82 70.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.777 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.8 t-105 -73.57 -46.11 49.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -62.7 -50.22 71.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -59.95 -30.93 69.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -60.26 -46.49 89.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.109 HD22 HD13 ' A' ' 87' ' ' LEU . 22.0 mt -75.0 -31.38 61.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.669 ' HE ' HG12 ' A' ' 50' ' ' VAL . 1.1 ttm180 -67.51 -57.47 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.79 -38.09 80.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -60.34 -57.38 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.03 -46.64 80.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -45.45 91.14 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -75.29 -48.05 25.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -59.48 -59.98 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.648 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 18.5 mt -70.94 -23.72 62.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 62.84 82.35 0.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.402 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -113.6 176.39 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -57.03 3.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -128.45 138.91 52.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.0 m -140.17 151.86 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -139.68 122.71 16.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.669 HG12 ' HE ' ' A' ' 36' ' ' ARG . 12.0 p -115.63 157.07 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.187 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 50' ' ' VAL . 9.1 tp10 -150.03 158.07 43.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.3 t0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 -179.838 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.414 ' CB ' ' HB3' ' A' ' 96' ' ' ALA . 6.2 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.519 ' HD1' HG23 ' A' ' 94' ' ' ILE . 86.5 m-85 -107.4 140.68 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -126.61 120.01 28.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.1 m -118.87 141.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.106 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 66' ' ' VAL . 1.2 tm? -128.52 140.76 51.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.837 ' N ' HD13 ' A' ' 65' ' ' LEU . 18.7 t -138.99 143.31 31.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.3 t -145.19 122.6 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.59 172.52 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.35 -21.16 27.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.354 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.99 -30.61 59.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.648 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 2.6 m-85 -74.98 -31.25 61.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.646 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.5 OUTLIER -60.32 -31.22 70.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.35 -32.24 83.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -106.85 157.43 35.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.665 0.269 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.37 -168.76 0.27 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.647 2.231 . . . . 0.0 112.229 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 tt -84.93 -31.29 23.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.504 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -75.07 -33.59 61.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -75.06 -50.75 15.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.432 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 18.7 ptt180 -60.21 -44.01 95.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -61.29 -37.85 84.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.485 ' NH2' HD12 ' A' ' 77' ' ' LEU . 7.9 mtm180 -72.44 -31.78 65.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.459 ' HB3' HD21 ' A' ' 43' ' ' LEU . 11.0 mt -60.21 -38.91 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.51 -42.58 78.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -69.18 -40.77 77.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -63.5 -34.02 76.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -60.0 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.109 HD13 HD22 ' A' ' 35' ' ' LEU . 5.4 mt -104.33 52.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.87 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -75.13 -35.81 61.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.997 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.23 -29.91 60.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.359 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.2 mt -49.12 -58.57 8.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.54 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.424 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.3 Cg_exo -44.92 -32.66 6.59 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.506 2.137 . . . . 0.0 112.607 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -75.0 -31.61 61.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.519 HG23 ' HD1' ' A' ' 62' ' ' PHE . 24.2 mm -73.68 117.23 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -64.28 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' ' 61' ' ' SER . . . -155.88 116.99 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.977 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.576 ' HE2' HD13 ' A' ' 35' ' ' LEU . 25.7 t80 -123.36 139.75 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -143.38 120.03 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -114.59 142.8 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -135.05 126.73 29.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.2 p -119.91 139.12 52.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.692 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 7.2 mt -148.62 156.52 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.646 HG22 ' HG2' ' A' ' 72' ' ' GLU . 16.0 p -79.33 154.86 76.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.49 -48.96 19.16 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.589 2.193 . . . . 0.0 112.291 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.04 -36.84 75.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -64.44 -48.48 75.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.692 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.5 t-105 -71.52 -35.82 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.741 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -62.02 -50.17 73.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.48 -30.05 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -59.68 -48.81 80.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.879 HD22 HD13 ' A' ' 87' ' ' LEU . 18.3 mt -74.93 -33.62 61.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' HD3' HG12 ' A' ' 50' ' ' VAL . 47.5 ttp85 -69.84 -48.24 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -60.07 -47.38 86.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -59.93 -50.82 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.24 -51.99 57.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HB2' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -59.45 -41.36 89.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.052 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -75.35 -44.03 47.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.057 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -67.68 -59.95 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' A' ' 71' ' ' PHE . 84.5 mt -67.69 -25.25 65.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.035 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 62.0 51.62 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.932 0.396 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.89 179.45 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.15 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -94.62 -51.64 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -137.66 121.6 17.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.6 m -123.1 161.15 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -149.54 128.33 12.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.741 ' CG2' ' HB1' ' A' ' 32' ' ' ALA . 11.0 p -121.02 145.5 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.94 166.06 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.817 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.702 ' HA ' ' HB3' ' A' ' 96' ' ' ALA . 16.5 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.767 0.318 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -116.57 161.24 19.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -145.14 120.16 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.498 HG12 HG23 ' A' ' 50' ' ' VAL . 23.6 m -120.37 141.89 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.215 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -112.82 152.27 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.759 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.493 ' HA ' HG12 ' A' ' 48' ' ' VAL . 20.2 t -149.98 119.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.261 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.96 119.94 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.014 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.93 -172.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -98.37 -0.05 44.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.541 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -59.69 -39.77 85.67 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.813 0.34 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.575 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 27.8 m-85 -74.98 -30.39 61.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.99 -30.22 70.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.94 -49.78 74.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.577 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -104.16 163.05 18.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.666 0.27 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.5 -175.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.523 2.148 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.414 ' C ' HD23 ' A' ' 76' ' ' LEU . 8.8 tt -78.74 -33.85 46.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.05 -31.81 61.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.01 -45.84 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.436 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 7.8 ptp180 -60.09 -38.07 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -67.12 -36.51 82.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -71.09 -33.23 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -60.16 -45.73 92.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.73 -42.07 94.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.54 -40.57 80.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.31 -32.23 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.05 -60.02 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.879 HD13 HD22 ' A' ' 35' ' ' LEU . 4.2 mt -108.04 44.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.9 92.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -75.06 -36.05 61.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.507 ' OE2' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.3 -29.85 60.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.368 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.413 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.3 mt -48.66 -57.83 9.98 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.589 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.7 Cg_exo -44.89 -31.16 5.01 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.668 2.246 . . . . 0.0 112.583 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -75.0 -32.23 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.4 mm -74.29 113.62 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -60.58 -33.69 73.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.736 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.702 ' HB3' ' HA ' ' A' ' 61' ' ' SER . . . -148.18 118.68 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.988 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -123.18 133.65 54.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -140.7 120.0 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.466 ' OE1' HG23 ' A' ' 101' ' ' THR . 1.6 pp0? -126.94 145.75 50.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.43 ' HB3' HD13 ' A' ' 65' ' ' LEU . 5.2 tptt -124.87 130.82 53.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.807 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.466 HG23 ' OE1' ' A' ' 99' ' ' GLN . 72.0 p -121.21 126.27 49.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.66 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.1 mt -149.15 172.64 14.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.0 p -92.85 155.59 41.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.97 -50.26 13.83 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.569 2.179 . . . . 0.0 112.308 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.26 -41.59 89.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -59.72 -48.49 81.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.66 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -67.69 -44.89 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.599 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -65.8 -46.27 79.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -31.46 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -60.96 -46.05 92.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.709 HD22 HD13 ' A' ' 87' ' ' LEU . 20.4 mt -73.12 -31.14 64.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -67.2 -59.97 2.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.43 -32.92 71.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -65.12 -59.97 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.7 mt -59.39 -31.36 69.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HB2' HG21 ' A' ' 48' ' ' VAL . 7.6 ttp180 -59.52 -59.21 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -75.2 -39.27 60.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.1 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -59.1 -59.94 4.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.53 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 32.8 mt -79.96 -18.23 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 63.66 77.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.18 174.53 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -89.78 -51.64 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -135.1 120.13 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.487 HG12 HG13 ' A' ' 66' ' ' VAL . 22.9 m -116.32 152.96 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -143.75 144.28 31.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.599 ' CG2' ' HB1' ' A' ' 32' ' ' ALA . 11.0 p -126.56 158.31 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.48 ' N ' HG22 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -141.65 166.92 23.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t0 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.825 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.422 ' OG ' ' HB3' ' A' ' 96' ' ' ALA . 17.5 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.814 0.34 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -150.05 144.95 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.13 120.12 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.547 HG11 ' CZ ' ' A' ' 97' ' ' PHE . 31.4 m -101.56 135.32 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.875 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.0 tm? -133.18 139.29 46.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.875 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.4 t -144.23 141.61 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.229 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 t -133.65 119.98 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 t -176.29 175.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.64 -22.18 21.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.323 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.34 -33.17 52.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.53 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 3.3 m-85 -75.06 -30.06 60.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.682 ' HG2' HG22 ' A' ' 103' ' ' THR . 3.8 mm-40 -63.2 -37.56 87.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.97 -54.72 35.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.538 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -77.83 157.24 79.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.662 0.268 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.14 -171.17 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.57 2.18 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.3 tt -78.41 -31.22 48.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.504 HD12 ' OE1' ' A' ' 78' ' ' GLN . 0.3 OUTLIER -74.96 -31.16 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.504 ' OE1' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -73.84 -44.83 54.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.686 ' O ' HG23 ' A' ' 83' ' ' VAL . 11.2 ptp180 -59.01 -40.45 84.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -74.62 -31.45 62.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -73.95 -40.23 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.475 ' HB3' HD21 ' A' ' 43' ' ' LEU . 12.1 mt -63.05 -44.24 96.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 79' ' ' ARG . 26.8 t -67.73 -44.48 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -65.68 -47.48 75.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.35 -31.0 69.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.55 -58.6 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.709 HD13 HD22 ' A' ' 35' ' ' LEU . 4.2 mt -102.91 39.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.79 80.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -75.17 -42.19 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -75.27 -29.94 60.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.429 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.3 mt -46.42 -58.52 6.49 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.575 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.9 Cg_exo -44.95 -33.61 7.76 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.196 . . . . 0.0 112.546 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -75.02 -30.99 61.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.1 mm -74.42 122.72 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -68.18 -34.91 77.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.69 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.422 ' HB3' ' OG ' ' A' ' 61' ' ' SER . . . -149.17 116.95 6.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.978 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.547 ' CZ ' HG11 ' A' ' 64' ' ' VAL . 18.7 t80 -121.87 130.79 53.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -121.74 119.98 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -100.12 123.96 44.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.434 ' HE2' HD23 ' A' ' 65' ' ' LEU . 6.6 ttpt -132.77 124.14 27.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.802 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.1 p -126.09 144.39 50.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.709 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 11.0 mt -150.02 163.32 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.682 HG22 ' HG2' ' A' ' 72' ' ' GLU . 19.6 p -88.71 151.32 47.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.8 -44.36 49.9 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.496 2.131 . . . . 0.0 112.298 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -59.89 -46.05 90.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -60.06 -49.55 77.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.709 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 3.4 t-105 -61.44 -50.94 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.597 ' O ' HG21 ' A' ' 50' ' ' VAL . . . -74.99 -53.01 9.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -31.57 72.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -60.29 -59.45 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.842 HD22 HD13 ' A' ' 87' ' ' LEU . 40.7 mt -61.68 -30.63 70.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -69.74 -60.03 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -60.09 -36.81 78.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HD3' HD23 ' A' ' 87' ' ' LEU . 28.0 tttp -60.09 -42.15 94.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.3 mt -75.06 -49.43 19.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.78 ' HB2' HG11 ' A' ' 48' ' ' VAL . 1.2 tmt_? -58.51 -37.9 76.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -75.33 -45.96 36.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.08 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.16 -60.02 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.639 HD22 ' CZ ' ' A' ' 71' ' ' PHE . 11.9 mt -65.78 -24.92 67.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.079 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 62.1 46.24 6.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.756 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.31 -176.12 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -97.02 -53.72 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -122.31 146.21 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.78 HG11 ' HB2' ' A' ' 40' ' ' ARG . 16.7 m -142.62 154.76 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -150.02 130.48 13.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 32' ' ' ALA . 10.9 p -127.71 150.14 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -150.01 174.89 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.6 t70 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.76 -179.751 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.739 0.304 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.5 m-85 -139.37 162.57 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.502 HH12 HD23 ' A' ' 65' ' ' LEU . 8.8 ttt-85 -126.42 120.04 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.79 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.449 ' CG2' ' CZ ' ' A' ' 97' ' ' PHE . 24.8 m -105.79 146.69 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.795 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -129.61 139.5 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.812 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.795 ' N ' HD13 ' A' ' 65' ' ' LEU . 16.4 t -139.75 145.15 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.232 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.6 t -150.0 119.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.38 168.45 2.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.14 -18.93 52.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.364 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -33.04 62.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.777 0.323 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.639 ' CZ ' HD22 ' A' ' 43' ' ' LEU . 2.6 m-85 -75.0 -30.53 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.603 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.5 OUTLIER -58.68 -34.56 71.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.65 -29.91 67.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -111.01 154.36 43.47 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.636 0.255 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.32 174.17 5.42 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.629 2.219 . . . . 0.0 112.298 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 tp -59.81 -46.15 90.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.407 HD12 HE22 ' A' ' 78' ' ' GLN . 0.5 OUTLIER -59.69 -32.71 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.974 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.407 HE22 HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -75.04 -31.97 61.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HG2' ' CD1' ' A' ' 71' ' ' PHE . 31.3 mtt180 -59.77 -59.5 5.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -60.23 -31.35 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -36.15 78.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB3' HD21 ' A' ' 43' ' ' LEU . 12.4 mt -64.87 -49.37 70.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.417 HG21 ' OE1' ' A' ' 99' ' ' GLN . 21.3 t -59.72 -42.09 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.33 -43.52 94.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.26 -34.36 75.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.13 -59.92 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.842 HD13 HD22 ' A' ' 35' ' ' LEU . 6.2 mt -100.63 36.61 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.802 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.77 -31.54 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.38 -48.74 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -75.36 -29.93 60.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.625 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.409 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.3 mt -45.06 -58.05 6.22 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.645 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.9 Cg_exo -44.91 -34.62 8.94 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.644 2.23 . . . . 0.0 112.514 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -74.93 -30.41 61.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.0 mm -75.33 129.2 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -74.34 -33.96 63.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.732 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.52 116.82 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.987 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.582 ' HE1' HD13 ' A' ' 35' ' ' LEU . 49.9 t80 -123.38 123.32 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -114.68 121.57 43.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.417 ' OE1' HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -127.53 142.92 51.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -137.65 128.08 26.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.974 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 p -117.7 136.75 53.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.659 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.0 mt -145.85 178.26 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.603 HG22 ' HG2' ' A' ' 72' ' ' GLU . 40.4 p -92.74 155.77 41.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.79 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 103' ' ' THR . 40.0 Cg_endo -66.82 -36.37 24.0 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.594 2.196 . . . . 0.0 112.268 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.7 -33.28 72.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.541 ' OE1' HD22 ' A' ' 102' ' ' LEU . 81.4 mt-30 -74.94 -48.07 26.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.659 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 3.6 t-105 -59.55 -30.92 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 90.3 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.429 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -61.08 -47.45 86.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -31.39 69.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -68.13 -47.51 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.76 HD22 HD13 ' A' ' 87' ' ' LEU . 34.7 mt -67.47 -36.53 81.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.043 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.617 ' NE ' HG23 ' A' ' 48' ' ' VAL . 1.3 ttt180 -70.66 -47.4 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.63 -35.64 81.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -60.0 -60.01 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.45 -30.76 70.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -59.94 -60.18 4.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -75.17 -35.61 61.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.07 -52.81 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.055 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.519 HD21 HD13 ' A' ' 82' ' ' LEU . 6.3 mt -93.16 -15.5 25.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.275 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 62.35 60.05 1.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 0.0 110.773 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' CB ' HG13 ' A' ' 66' ' ' VAL . . . -85.57 170.82 12.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.2 -53.83 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -130.2 137.1 49.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.807 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.617 HG23 ' NE ' ' A' ' 36' ' ' ARG . 14.5 m -141.01 147.3 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -144.19 132.62 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.431 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.1 p -125.4 155.25 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 50' ' ' VAL . 11.2 pt-20 -146.74 167.73 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.826 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.61 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 12.1 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.758 0.313 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -135.42 155.16 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -138.02 124.62 20.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.447 HG22 ' CE1' ' A' ' 97' ' ' PHE . 29.9 m -110.95 131.68 61.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.675 HD11 ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -117.76 135.38 54.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.605 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.5 t -144.24 143.06 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.219 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 t -147.52 119.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.07 -170.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.9 -17.35 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.438 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -52.68 -31.48 37.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.882 0.372 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.445 ' CZ ' ' CG2' ' A' ' 101' ' ' THR . 16.2 m-85 -75.0 -31.51 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -31.35 71.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.67 -40.66 99.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.643 ' HD2' HD11 ' A' ' 82' ' ' LEU . 17.7 mttt -104.02 153.15 39.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.667 0.27 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.84 167.57 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.573 2.182 . . . . 0.0 112.269 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.495 ' O ' HD23 ' A' ' 76' ' ' LEU . 4.9 tt -64.65 -43.22 94.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.59 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.02 -33.6 76.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.95 -30.15 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.414 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 68.3 mtt180 -59.13 -56.49 21.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -60.1 -34.48 73.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -70.26 -31.22 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.643 HD11 ' HD2' ' A' ' 74' ' ' LYS . 11.4 mt -66.06 -49.94 65.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.406 HG11 ' HG2' ' A' ' 99' ' ' GLN . 21.5 t -59.7 -35.86 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.96 -38.78 79.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.48 -42.89 98.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -56.78 17.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.76 HD13 HD22 ' A' ' 35' ' ' LEU . 8.4 mt -99.01 40.98 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.88 85.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -75.06 -36.74 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -75.35 -29.91 60.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.497 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.7 mt -48.37 -57.85 9.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.659 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.6 Cg_exo -44.85 -33.28 7.13 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.584 2.189 . . . . 0.0 112.658 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -75.04 -30.8 61.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.0 mm -75.52 122.24 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -74.54 -31.75 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 61' ' ' SER . . . -149.63 120.18 7.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 98' ' ' GLU . 9.1 t80 -131.15 144.43 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.047 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.45 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 3.5 tt0 -130.95 119.95 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.782 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.406 ' HG2' HG11 ' A' ' 83' ' ' VAL . 5.5 mt-30 -100.32 126.54 46.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.631 ' HB3' HD22 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -127.91 120.03 26.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.782 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.445 ' CG2' ' CZ ' ' A' ' 71' ' ' PHE . 18.3 p -129.85 129.7 44.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.685 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 6.9 mt -150.07 162.15 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.03 162.58 51.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.55 -42.86 6.44 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.489 2.126 . . . . 0.0 112.23 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -40.09 89.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -68.09 -50.43 55.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.685 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.8 t-105 -59.78 -30.8 69.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.868 0.366 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.68 -52.43 25.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -32.03 71.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -60.75 -54.47 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.705 HD22 HD13 ' A' ' 87' ' ' LEU . 87.9 mt -62.32 -41.2 98.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.599 ' HD3' HG12 ' A' ' 50' ' ' VAL . 30.7 ttp180 -60.77 -60.1 4.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.13 -35.06 74.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -63.18 -60.02 3.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.592 HD22 HG13 ' A' ' 83' ' ' VAL . 14.1 mt -64.16 -35.72 81.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -59.23 -52.24 66.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -75.37 -42.0 55.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -59.54 -51.39 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 82' ' ' LEU . 6.2 mt -85.55 -20.92 28.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.07 78.39 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.77 -175.42 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -100.78 -53.91 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -131.33 125.84 33.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.536 HG12 HG22 ' A' ' 66' ' ' VAL . 7.5 m -124.95 150.07 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.99 126.52 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.599 HG12 ' HD3' ' A' ' 36' ' ' ARG . 11.4 p -119.95 151.67 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -131.78 159.11 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.8 t0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.761 -179.78 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.839 0.352 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -134.88 158.06 45.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -130.6 127.45 39.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.411 ' CG2' ' CE1' ' A' ' 97' ' ' PHE . 30.7 m -112.73 129.07 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 66' ' ' VAL . 1.2 tm? -125.98 142.89 51.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.865 ' N ' HD13 ' A' ' 65' ' ' LEU . 22.1 t -147.44 138.27 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.25 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.2 t -132.27 119.98 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.924 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.31 -176.91 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.928 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.61 -14.5 16.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.498 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -55.3 -30.86 61.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -75.01 -31.01 61.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.13 -30.89 68.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.39 -49.01 83.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.424 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -99.2 154.33 37.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.829 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.54 173.94 7.08 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.583 2.189 . . . . 0.0 112.27 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.582 HD12 ' HE ' ' A' ' 79' ' ' ARG . 11.4 tp -59.45 -43.96 93.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.434 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -59.22 -31.32 68.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -74.96 -57.54 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.582 ' HE ' HD12 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -59.33 -33.87 71.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.487 ' NE2' HD11 ' A' ' 76' ' ' LEU . 13.5 m170 -70.04 -38.52 75.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -75.0 -31.27 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.564 ' HB3' HD21 ' A' ' 43' ' ' LEU . 11.5 mt -60.07 -55.62 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.592 HG13 HD22 ' A' ' 39' ' ' LEU . 21.7 t -61.71 -34.08 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -72.06 -44.8 62.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.24 -34.64 76.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.002 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.22 -57.72 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.705 HD13 HD22 ' A' ' 35' ' ' LEU . 11.2 mt -98.33 46.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.27 -53.69 53.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.08 -32.03 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.21 -29.89 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.298 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.9 mt -51.2 -58.41 10.64 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.479 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.3 Cg_exo -45.02 -31.85 5.97 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.613 2.209 . . . . 0.0 112.541 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -74.97 -31.92 61.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.9 mm -73.7 109.95 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.216 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -60.81 -32.14 71.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.752 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.72 116.87 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.972 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.461 ' HE2' HD13 ' A' ' 35' ' ' LEU . 23.9 t80 -121.27 136.57 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -138.53 119.92 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.91 149.9 36.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.29 119.91 8.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 p -111.43 127.93 55.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.757 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 11.9 mt -141.42 151.74 43.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 p -81.13 155.77 72.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.81 -46.5 33.24 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.575 2.183 . . . . 0.0 112.318 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -31.17 68.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -73.63 -52.67 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.757 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.8 t-105 -61.53 -44.65 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.984 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.829 0.347 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.57 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -63.39 -47.83 80.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -34.72 74.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.87 -58.06 9.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.971 HD22 HD13 ' A' ' 87' ' ' LEU . 35.9 mt -61.03 -33.45 73.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.489 ' HD2' HG12 ' A' ' 50' ' ' VAL . 40.9 ttt-85 -64.24 -60.04 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.36 -32.5 73.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -64.12 -60.01 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.2 mt -59.99 -32.11 70.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -59.34 -60.17 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.08 -31.44 61.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.019 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.9 -55.24 20.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 82' ' ' LEU . 15.4 mt -87.54 -18.18 30.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 66.96 87.03 0.13 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -123.75 177.58 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.05 -57.16 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -127.93 130.95 49.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.7 m -127.78 143.71 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -131.95 127.76 37.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.57 HG22 ' HB1' ' A' ' 32' ' ' ALA . 11.2 p -122.08 141.83 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -129.18 160.94 31.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.6 t0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.79 -179.828 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' A' ' 96' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.888 0.375 . . . . 0.0 110.839 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -138.98 145.49 39.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 50' ' ' VAL . 1.4 mtt-85 -123.96 145.15 49.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.46 HG21 ' CZ ' ' A' ' 97' ' ' PHE . 5.6 m -145.81 124.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.887 HD13 ' N ' ' A' ' 66' ' ' VAL . 1.9 tm? -112.52 139.47 48.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.887 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.2 t -137.74 126.3 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.62 120.06 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.16 162.42 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.28 -15.75 56.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.459 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -30.0 39.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.832 0.349 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.58 ' HE1' HD22 ' A' ' 43' ' ' LEU . 18.5 m-85 -75.1 -31.34 61.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.506 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.7 OUTLIER -61.41 -35.53 77.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.55 -30.08 73.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -110.65 154.46 43.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.678 0.275 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.02 -174.42 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.622 2.215 . . . . 0.0 112.2 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.425 HD21 ' CE1' ' A' ' 80' ' ' HIS . 7.0 tt -74.28 -35.35 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -73.64 -30.83 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -74.87 -53.62 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -59.04 -36.51 75.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.425 ' CE1' HD21 ' A' ' 76' ' ' LEU . 8.9 m170 -69.18 -36.53 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -74.92 -32.28 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.795 ' HB3' HD21 ' A' ' 43' ' ' LEU . 10.0 mt -59.0 -46.46 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.587 HG22 HD11 ' A' ' 43' ' ' LEU . 27.3 t -65.1 -46.73 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -65.92 -43.55 87.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.2 -34.48 72.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.23 -59.99 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.971 HD13 HD22 ' A' ' 35' ' ' LEU . 8.7 mt -97.13 42.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.37 96.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.207 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -75.12 -38.14 61.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.23 -29.88 60.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.443 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.2 mt -48.17 -58.42 8.04 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.462 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.6 Cg_exo -44.82 -33.31 7.12 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.562 2.175 . . . . 0.0 112.522 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -75.05 -31.41 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.2 mm -74.08 118.32 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -66.44 -31.85 72.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.719 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' A' ' 61' ' ' SER . . . -152.01 118.07 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.46 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 44.6 t80 -125.03 144.9 50.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.062 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -146.87 120.06 8.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -108.81 150.95 26.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -141.39 119.99 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.736 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 74.2 p -113.48 135.96 53.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.616 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 7.3 mt -149.97 148.58 29.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.506 HG22 ' HG2' ' A' ' 72' ' ' GLU . 30.3 p -79.91 149.86 71.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.49 -42.08 63.71 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.557 2.171 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.94 -31.51 69.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -74.99 -52.89 9.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.616 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.2 t-105 -59.8 -35.61 75.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 68.5 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -62.55 -57.86 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -30.57 70.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -59.64 -54.15 49.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.705 ' CD2' HD22 ' A' ' 87' ' ' LEU . 22.6 mt -69.29 -31.34 69.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.563 ' HD3' HG12 ' A' ' 50' ' ' VAL . 11.2 ttp180 -70.72 -51.72 25.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -63.3 -35.76 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -60.06 -59.97 4.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.64 -30.78 71.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -59.74 -54.69 43.33 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -29.94 60.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.123 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.47 -52.89 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.683 HD13 ' CE1' ' A' ' 71' ' ' PHE . 62.3 mt -99.26 -11.77 20.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.35 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 61.8 65.18 0.94 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.906 0.384 . . . . 0.0 110.82 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.4 ' CB ' HG13 ' A' ' 66' ' ' VAL . . . -83.81 168.9 15.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -85.99 -60.44 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -124.89 131.29 53.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 66' ' ' VAL . 20.7 m -137.17 143.67 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -137.98 128.54 26.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.563 HG12 ' HD3' ' A' ' 36' ' ' ARG . 11.1 p -116.3 147.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -138.78 161.82 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.823 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.787 0.327 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.526 ' HD2' HG23 ' A' ' 94' ' ' ILE . 36.1 m-85 -143.31 153.7 43.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 50' ' ' VAL . 21.4 mtp180 -137.13 132.66 34.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 98' ' ' GLU . 6.3 m -129.89 130.87 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -120.6 134.63 55.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.726 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.726 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.5 t -139.75 142.7 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.8 t -146.87 120.02 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.983 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.52 177.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.985 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.81 -18.15 31.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.361 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -52.91 -31.91 42.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.868 0.366 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.683 ' CE1' HD13 ' A' ' 43' ' ' LEU . 11.9 m-85 -75.03 -31.71 61.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.428 ' HG2' HG22 ' A' ' 103' ' ' THR . 4.0 mm-40 -60.37 -31.08 69.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.64 -35.2 88.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -113.38 159.11 36.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.299 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.22 -167.48 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.574 2.182 . . . . 0.0 112.298 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.501 HD12 ' HD2' ' A' ' 79' ' ' ARG . 5.8 tp -80.84 -30.76 35.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.667 HD12 HE22 ' A' ' 78' ' ' GLN . 0.3 OUTLIER -75.01 -32.93 61.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.667 HE22 HD12 ' A' ' 77' ' ' LEU . 1.5 mp0 -75.03 -47.68 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 83' ' ' VAL . 17.0 ptp180 -58.53 -45.92 87.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -65.14 -35.45 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -70.1 -41.87 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.07 -31.67 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 79' ' ' ARG . 21.5 t -67.4 -58.51 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -33.75 76.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.12 -37.93 72.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -56.55 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.705 HD22 ' CD2' ' A' ' 35' ' ' LEU . 3.6 mt -101.21 41.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.55 89.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -75.12 -39.19 60.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -29.95 60.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.394 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.423 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -47.22 -58.33 7.49 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.572 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.423 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.8 Cg_exo -44.95 -32.77 6.77 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.64 2.227 . . . . 0.0 112.595 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -75.03 -31.22 61.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.526 HG23 ' HD2' ' A' ' 62' ' ' PHE . 23.5 mm -74.3 118.26 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -66.01 -31.68 72.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -153.39 117.25 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.469 ' HE2' HD13 ' A' ' 35' ' ' LEU . 18.3 t80 -125.2 140.7 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.98 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 64' ' ' VAL . 1.9 tp10 -127.33 125.57 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.763 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -117.82 120.96 39.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.455 ' HB3' HD22 ' A' ' 65' ' ' LEU . 3.0 tmtm? -129.59 119.97 24.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.806 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.413 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 22.1 p -123.28 141.63 51.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.524 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 2.0 mt -149.93 171.51 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.428 HG22 ' HG2' ' A' ' 72' ' ' GLU . 18.0 p -91.25 150.67 41.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.94 -45.51 40.46 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.549 2.166 . . . . 0.0 112.276 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.93 -46.35 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.15 -52.35 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.524 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -60.97 -47.05 88.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.764 0.316 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.439 ' O ' HG11 ' A' ' 50' ' ' VAL . . . -68.04 -35.41 78.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.98 -31.3 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -60.08 -50.69 72.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.765 HD22 HD13 ' A' ' 87' ' ' LEU . 19.6 mt -71.38 -30.95 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -69.51 -52.65 24.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.61 -31.23 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -68.37 -60.02 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.28 -44.42 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.518 ' HB2' HG21 ' A' ' 48' ' ' VAL . 15.1 ttt-85 -58.1 -46.05 86.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -75.31 -40.44 58.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.89 -60.0 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.646 HD22 ' CE1' ' A' ' 71' ' ' PHE . 4.9 mt -72.39 -22.84 61.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.21 72.52 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.739 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.98 169.68 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -78.16 -59.94 2.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -135.1 130.03 34.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.518 HG21 ' HB2' ' A' ' 40' ' ' ARG . 31.2 m -125.9 147.93 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -137.07 119.98 16.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.439 HG11 ' O ' ' A' ' 32' ' ' ALA . 12.7 p -107.97 155.85 8.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' N ' HG22 ' A' ' 50' ' ' VAL . 4.8 tp10 -135.55 162.82 31.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.865 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -138.76 125.88 21.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -109.72 120.02 41.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.6 m -110.48 129.97 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.203 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.661 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -120.29 138.82 53.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.661 ' N ' HD13 ' A' ' 65' ' ' LEU . 20.0 t -140.78 128.67 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.2 t -128.13 119.98 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.61 -176.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.01 -20.2 16.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.384 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -30.94 56.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.985 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.646 ' CE1' HD22 ' A' ' 43' ' ' LEU . 2.7 m-85 -75.06 -30.74 61.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.626 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.3 OUTLIER -61.48 -34.1 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.1 -30.02 76.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.819 ' HD2' HD11 ' A' ' 82' ' ' LEU . 25.3 mttm -100.47 155.39 36.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.705 0.288 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.4 163.93 30.37 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.62 2.213 . . . . 0.0 112.237 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.01 -30.84 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -31.46 61.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -75.02 -31.02 61.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.9 mtm-85 -59.8 -58.09 10.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -62.15 -45.99 90.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -60.51 -33.5 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.819 HD11 ' HD2' ' A' ' 74' ' ' LYS . 11.1 mt -60.71 -42.04 96.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.5 t -75.05 -33.14 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -71.38 -38.38 71.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.27 -43.67 98.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.977 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -59.37 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.765 HD13 HD22 ' A' ' 35' ' ' LEU . 9.4 mt -97.78 38.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.27 76.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.12 -34.14 61.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.29 -29.89 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.309 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.422 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.1 mt -49.71 -58.07 10.34 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.559 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.422 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.1 Cg_exo -44.95 -31.58 5.53 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.56 2.173 . . . . 0.0 112.655 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -75.01 -31.62 61.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.2 mm -74.67 116.43 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.16 -34.36 73.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.77 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 116.89 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.952 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.57 ' HE1' HD13 ' A' ' 35' ' ' LEU . 32.4 t80 -120.91 143.06 49.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.977 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.53 119.95 13.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.814 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -118.3 144.8 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.32 119.95 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.2 p -112.92 137.1 51.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.466 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 1.7 mt -149.92 173.34 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.626 HG22 ' HG2' ' A' ' 72' ' ' GLU . 60.9 p -93.01 154.34 41.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 103' ' ' THR . 36.5 Cg_endo -65.54 -29.97 52.35 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.57 2.18 . . . . 0.0 112.212 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.45 -36.23 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -75.13 -45.98 37.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.65 ' CH2' HD11 ' A' ' 65' ' ' LEU . 2.3 t-105 -61.11 -52.41 65.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.978 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.774 0.321 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.06 97.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -31.3 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -62.09 -51.15 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.791 HD22 HD13 ' A' ' 87' ' ' LEU . 47.1 mt -68.73 -31.31 70.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.427 ' NE ' HG23 ' A' ' 48' ' ' VAL . 14.8 ttp180 -73.96 -51.09 17.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.14 -41.08 91.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -60.3 -53.21 60.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.39 -42.71 99.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -59.89 -46.45 89.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -75.26 -46.7 31.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.44 -48.87 79.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.587 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 13.1 mt -83.58 -24.74 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 64.83 47.27 2.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.23 -175.8 4.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.049 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -96.32 -53.46 3.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -135.51 132.59 37.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.427 HG23 ' NE ' ' A' ' 36' ' ' ARG . 15.0 m -129.35 152.34 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -140.46 125.46 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.3 p -114.0 157.38 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 50' ' ' VAL . 4.6 tp10 -138.25 164.81 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.818 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 76.5 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.746 0.308 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -149.99 131.4 14.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -103.2 135.9 43.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -131.32 133.15 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.759 HD13 ' N ' ' A' ' 66' ' ' VAL . 3.1 tm? -131.2 137.75 49.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.79 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.759 ' N ' HD13 ' A' ' 65' ' ' LEU . 19.4 t -131.63 135.1 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -130.58 122.44 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 t -175.12 -179.74 1.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.016 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.12 -18.73 17.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.361 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -29.96 59.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.827 0.346 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.587 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 50.0 m-85 -75.13 -30.85 60.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.42 -31.25 69.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.27 -29.94 73.4 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.568 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' CD ' HD11 ' A' ' 82' ' ' LEU . 6.0 mttp -104.63 154.29 38.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.67 0.271 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.9 160.48 33.26 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.571 2.181 . . . . 0.0 112.227 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.83 -36.63 72.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -33.63 76.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -75.0 -30.09 61.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.617 ' HB3' HG21 ' A' ' 101' ' ' THR . 84.2 mtt180 -58.95 -56.93 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -63.99 -44.68 91.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -59.68 -39.16 83.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.416 HD11 ' CD ' ' A' ' 74' ' ' LYS . 4.5 mt -60.52 -46.64 89.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.575 HG21 HE21 ' A' ' 99' ' ' GLN . 21.5 t -59.46 -40.14 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.171 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -65.53 -31.19 72.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -66.76 -37.36 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.23 -60.09 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.791 HD13 HD22 ' A' ' 35' ' ' LEU . 9.3 mt -102.85 44.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.71 -48.77 75.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -75.04 -34.33 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.145 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -75.19 -30.0 60.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.37 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.417 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -50.2 -58.0 11.04 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.501 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.9 Cg_exo -45.02 -32.24 6.37 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.527 2.152 . . . . 0.0 112.544 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -75.06 -31.89 61.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.1 mm -74.58 116.73 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -60.56 -33.83 73.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.974 0.416 . . . . 0.0 110.641 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.71 116.5 5.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.862 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -122.25 142.53 50.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.053 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -143.35 119.92 11.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.575 HE21 HG21 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -123.36 149.75 44.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.02 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -142.73 145.3 33.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.617 HG21 ' HB3' ' A' ' 79' ' ' ARG . 32.0 p -124.31 133.34 53.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.434 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 1.8 mt -149.84 159.87 44.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.753 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.52 161.25 65.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.4 -40.87 5.31 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.53 2.154 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -60.28 -34.81 74.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -74.73 -51.02 15.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.434 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 3.1 t-105 -60.37 -50.67 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.0 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.987 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.897 0.38 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.84 -42.56 85.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.175 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -30.64 70.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -59.34 -55.73 31.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.895 HD22 HD22 ' A' ' 87' ' ' LEU . 34.2 mt -64.87 -31.54 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -66.92 -58.7 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -59.1 -31.03 68.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -60.55 -59.32 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.857 HD22 HG13 ' A' ' 83' ' ' VAL . 3.8 mt -67.49 -31.43 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -55.86 28.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -32.8 61.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.08 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.16 -53.76 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.535 HD13 ' CE1' ' A' ' 71' ' ' PHE . 6.5 mt -89.33 -16.72 30.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 63.17 77.98 0.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.908 0.385 . . . . 0.0 110.779 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.11 174.04 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.074 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -86.57 -58.39 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -132.16 127.43 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.696 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.3 m -128.91 143.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.07 144.52 51.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.7 p -126.23 156.03 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' N ' HG22 ' A' ' 50' ' ' VAL . 2.7 mm-40 -132.37 172.77 12.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.769 -179.81 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.624 ' OG ' ' HB3' ' A' ' 96' ' ' ALA . 67.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -150.01 152.2 34.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -118.76 127.05 53.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.438 ' CG2' ' CZ ' ' A' ' 97' ' ' PHE . 31.3 m -103.7 137.7 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.343 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.8 tm? -132.62 132.64 42.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.745 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.7 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.6 t -138.2 144.29 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.8 t -135.43 119.9 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.029 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.79 -175.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -96.92 0.62 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.529 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -59.46 -42.17 91.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CE1' HD13 ' A' ' 43' ' ' LEU . 41.1 m-85 -75.01 -30.74 61.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HG2' HG22 ' A' ' 103' ' ' THR . 2.4 mm-40 -59.54 -45.23 92.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.37 93.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -90.49 156.7 45.3 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.813 0.339 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 179.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.571 2.181 . . . . 0.0 112.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -77.57 -44.23 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.596 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -75.1 -30.95 61.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -62.38 -48.71 78.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 83' ' ' VAL . 5.5 ptp180 -59.51 -38.98 82.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -70.29 -39.95 74.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -73.22 -32.52 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 82' ' ' LEU . 11.0 mt -59.29 -44.82 92.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.857 HG13 HD22 ' A' ' 39' ' ' LEU . 25.7 t -64.52 -45.59 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -65.61 -39.08 91.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.9 -36.6 77.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.1 t -61.23 -56.82 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.895 HD22 HD22 ' A' ' 35' ' ' LEU . 4.3 mt -97.34 39.67 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.88 95.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.214 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.14 -37.83 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.27 -29.91 60.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.431 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.423 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -48.5 -58.11 9.1 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.603 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.423 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.0 Cg_exo -44.94 -32.96 6.94 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.569 2.18 . . . . 0.0 112.589 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -75.01 -30.87 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.43 127.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -67.72 -37.03 81.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.399 . . . . 0.0 110.612 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.624 ' HB3' ' OG ' ' A' ' 61' ' ' SER . . . -152.32 117.11 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.438 ' CZ ' ' CG2' ' A' ' 64' ' ' VAL . 33.1 t80 -121.02 135.24 55.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.017 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -124.07 136.03 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.801 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -119.36 121.39 39.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.64 ' O ' HD22 ' A' ' 65' ' ' LEU . 13.9 tptt -133.84 120.98 21.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.859 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 20.1 p -119.04 148.95 42.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.763 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 9.8 mt -150.07 152.53 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.471 HG22 ' HG2' ' A' ' 72' ' ' GLU . 73.0 p -77.67 152.78 80.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.38 -45.28 40.7 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.528 2.152 . . . . 0.0 112.313 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.93 -40.65 89.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -61.71 -52.34 64.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.763 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.5 t-105 -63.13 -49.42 74.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.849 0.356 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.68 88.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -31.84 73.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -67.27 -55.49 13.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.819 HD22 HD13 ' A' ' 87' ' ' LEU . 39.4 mt -64.84 -30.86 71.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -69.36 -60.03 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -59.89 -31.16 69.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.68 ' HE2' HD23 ' A' ' 87' ' ' LEU . 21.2 tttt -64.73 -60.12 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.68 ' HB3' HD12 ' A' ' 43' ' ' LEU . 55.7 mt -58.91 -31.52 68.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -60.87 -60.07 4.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -75.19 -39.66 59.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.058 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -59.01 -52.93 63.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' ' 39' ' ' LEU . 7.1 mt -87.44 -18.92 28.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 64.37 79.85 0.25 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.836 0.35 . . . . 0.0 110.829 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.57 161.57 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.47 -44.98 41.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -148.16 138.95 23.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.629 HG12 ' HA ' ' A' ' 66' ' ' VAL . 30.9 m -136.12 156.51 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -140.0 120.05 13.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.817 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -107.1 148.01 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.14 158.98 43.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.791 -179.796 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 96' ' ' ALA . 1.3 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.795 0.331 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -149.99 164.04 36.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -143.25 133.35 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.417 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 31.0 m -124.24 130.83 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.843 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.1 tm? -123.49 138.38 54.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.843 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.3 t -140.01 137.78 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.8 t -137.29 120.0 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.06 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.42 175.28 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.039 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.02 -21.44 21.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.332 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -30.24 52.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.544 ' HE2' HG11 ' A' ' 66' ' ' VAL . 11.3 m-85 -75.09 -30.73 60.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.492 ' HG2' HG22 ' A' ' 103' ' ' THR . 2.8 mm-40 -61.47 -39.38 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.08 -52.25 53.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.666 ' HD3' HD11 ' A' ' 82' ' ' LEU . 20.8 mttt -74.37 155.64 87.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.64 0.257 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.72 167.21 21.75 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.584 2.189 . . . . 0.0 112.219 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.8 tp -59.21 -42.33 90.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.468 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -62.28 -31.07 71.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.877 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -74.83 -35.75 62.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -60.29 -53.49 57.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -64.86 -36.22 83.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -73.73 -32.06 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.666 HD11 ' HD3' ' A' ' 74' ' ' LYS . 10.9 mt -60.17 -40.42 89.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.7 t -74.94 -35.43 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -72.33 -45.89 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -61.07 -34.36 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.9 t -60.29 -57.81 11.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.819 HD13 HD22 ' A' ' 35' ' ' LEU . 9.8 mt -103.62 47.62 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.784 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.58 94.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.215 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.16 -38.57 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.043 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -75.23 -29.95 60.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.453 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.6 mt -47.79 -58.51 7.52 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.533 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.429 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.9 Cg_exo -44.88 -33.26 7.19 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.583 2.188 . . . . 0.0 112.589 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -74.89 -31.64 61.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 26.6 mm -73.62 110.54 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -60.44 -33.2 72.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.732 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.4 ' HB3' ' CB ' ' A' ' 61' ' ' SER . . . -149.44 116.63 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.907 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.417 ' HZ ' HG11 ' A' ' 64' ' ' VAL . 26.5 t80 -116.2 137.2 52.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -132.14 120.0 21.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.773 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.84 148.4 42.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 119.98 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.7 p -105.12 140.92 37.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.993 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.55 HD22 ' CB ' ' A' ' 106' ' ' GLN . 3.9 mt -150.01 156.89 42.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.492 HG22 ' HG2' ' A' ' 72' ' ' GLU . 24.0 p -87.24 153.73 54.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.6 -45.79 37.79 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.605 2.203 . . . . 0.0 112.318 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.94 -31.99 70.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.55 ' CB ' HD22 ' A' ' 102' ' ' LEU . 10.0 mm-40 -72.11 -43.31 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.461 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.2 t-105 -75.0 -43.01 56.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.037 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.824 0.345 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' HG21 ' A' ' 50' ' ' VAL . . . -59.68 -44.6 93.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.23 -32.04 73.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -60.62 -53.48 57.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.625 HD13 ' HE2' ' A' ' 97' ' ' PHE . 23.9 mt -71.14 -30.57 66.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HD2' HG12 ' A' ' 50' ' ' VAL . 5.7 ttt180 -67.38 -59.96 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.91 -31.98 71.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.486 ' HD3' HD21 ' A' ' 87' ' ' LEU . 24.5 tttp -67.38 -55.77 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.12 -43.88 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -58.78 -48.53 80.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -75.24 -45.86 37.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.409 ' CG ' ' HG ' ' A' ' 86' ' ' CYS . 24.0 t70 -59.51 -60.01 4.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.494 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 40.2 mt -72.52 -24.2 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 64.4 76.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.15 174.92 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -88.71 -57.85 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -131.26 131.0 43.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.713 HG12 ' HA ' ' A' ' 66' ' ' VAL . 30.6 m -133.62 162.32 39.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.03 120.01 7.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 32' ' ' ALA . 11.3 p -107.23 156.02 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' N ' HG22 ' A' ' 50' ' ' VAL . 9.0 tp10 -143.33 159.98 41.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.764 -179.83 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.794 0.33 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -114.48 144.48 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -133.28 121.59 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.778 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.463 HG22 ' CE1' ' A' ' 97' ' ' PHE . 29.8 m -119.33 139.7 45.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.729 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -120.59 136.03 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.729 ' N ' HD13 ' A' ' 65' ' ' LEU . 18.1 t -133.95 137.31 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.212 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.0 t -141.92 119.91 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.22 177.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.81 -18.13 24.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.399 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -32.39 57.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.841 0.353 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.494 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 2.7 m-85 -75.07 -30.86 61.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HG2' HG22 ' A' ' 103' ' ' THR . 2.8 mm-40 -60.01 -32.02 70.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.71 96.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.425 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.708 ' HD2' HD11 ' A' ' 82' ' ' LEU . 86.6 mttt -91.45 160.14 37.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.659 0.266 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.55 167.85 17.94 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.541 2.161 . . . . 0.0 112.241 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.18 -45.91 89.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.03 -30.96 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -75.07 -30.38 60.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -59.07 -57.79 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -62.68 -37.2 85.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -31.28 70.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.708 HD11 ' HD2' ' A' ' 74' ' ' LYS . 3.2 mt -62.15 -49.14 77.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 t -62.0 -32.43 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.624 ' HA ' HD11 ' A' ' 91' ' ' LEU . 38.8 m-20 -71.82 -40.89 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.75 -33.34 75.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.409 ' HG ' ' CG ' ' A' ' 42' ' ' ASP . 2.4 t -60.19 -59.99 4.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.611 HD13 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -108.14 45.68 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.69 -31.41 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -75.25 -49.05 20.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -75.3 -29.73 60.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.345 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' A' ' 84' ' ' ASN . 5.7 mt -44.77 -60.2 3.3 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 91' ' ' LEU . 7.9 Cg_endo -50.67 -29.86 26.93 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.424 2.083 . . . . 0.0 112.282 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -74.13 -29.96 62.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.79 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.6 mm -71.25 118.04 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -65.05 -31.33 72.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -155.09 116.73 4.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.0 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.625 ' HE2' HD13 ' A' ' 35' ' ' LEU . 8.3 t80 -126.12 146.32 49.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.994 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.424 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 0.4 OUTLIER -139.87 120.02 13.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.777 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.3 136.4 53.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.423 ' HB2' HD22 ' A' ' 65' ' ' LEU . 6.1 mtmt -130.04 119.99 24.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.819 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.1 p -115.15 134.32 55.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.481 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 1.7 mt -149.97 167.37 26.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.471 HG22 ' HG2' ' A' ' 72' ' ' GLU . 81.5 p -87.13 154.82 55.03 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 103' ' ' THR . 36.2 Cg_endo -65.23 -30.83 54.52 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.52 2.147 . . . . 0.0 112.187 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.42 -34.79 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -74.95 -49.04 21.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.622 ' CH2' HD11 ' A' ' 65' ' ' LEU . 2.0 t-105 -59.54 -43.53 93.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.49 ' O ' HG21 ' A' ' 50' ' ' VAL . . . -68.5 -56.8 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.93 -31.42 69.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.24 -58.0 10.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.101 HD22 HD13 ' A' ' 87' ' ' LEU . 36.5 mt -61.8 -31.08 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.611 ' NE ' HG23 ' A' ' 48' ' ' VAL . 5.1 ttp180 -71.29 -59.17 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.74 -30.83 69.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -69.96 -60.04 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.542 HD22 HG13 ' A' ' 83' ' ' VAL . 31.5 mt -61.07 -38.31 85.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -58.13 -51.42 69.79 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -75.33 -40.6 58.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.27 -60.04 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mt -76.82 -20.91 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 64.07 80.05 0.24 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.55 168.62 9.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.66 -56.4 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -132.25 132.28 42.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.611 HG23 ' NE ' ' A' ' 36' ' ' ARG . 15.9 m -126.67 145.77 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -139.35 120.02 14.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.813 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 32' ' ' ALA . 12.2 p -107.63 150.84 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -132.9 162.91 30.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.794 -179.796 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.885 0.374 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -150.03 151.11 32.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 ttp85 -123.91 128.99 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.418 HG21 ' CE1' ' A' ' 97' ' ' PHE . 13.3 m -120.42 130.09 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -122.88 139.42 54.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.785 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.5 t -143.16 132.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.1 t -132.3 119.99 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.005 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.92 172.68 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.83 -19.63 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.285 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.61 -31.04 56.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.058 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 2.7 m-85 -74.96 -31.18 61.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -41.28 93.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.04 -30.08 66.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -104.0 155.38 37.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.701 0.286 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.49 -173.0 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.539 2.159 . . . . 0.0 112.261 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.689 ' O ' HD23 ' A' ' 76' ' ' LEU . 6.0 tt -79.3 -31.78 43.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.491 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -75.03 -31.56 61.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.01 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -72.71 -48.85 35.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 4.3 ptp180 -59.64 -38.7 82.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.482 ' CE1' HD21 ' A' ' 76' ' ' LEU . 17.2 m170 -69.97 -50.04 45.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -64.6 -31.11 72.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.2 -51.03 71.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.542 HG13 HD22 ' A' ' 39' ' ' LEU . 27.4 t -62.43 -36.2 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.33 -40.01 74.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -60.3 -38.18 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.14 -58.43 8.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.101 HD13 HD22 ' A' ' 35' ' ' LEU . 4.9 mt -103.82 54.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.62 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.192 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -75.04 -33.39 61.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.019 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -29.9 60.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.345 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.1 mt -50.27 -58.5 9.51 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.492 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.1 Cg_exo -45.0 -32.14 6.2 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.566 2.177 . . . . 0.0 112.607 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -74.99 -31.75 61.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.7 mm -73.76 112.33 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -60.22 -36.41 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.718 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.4 116.69 5.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.507 ' HE2' HD13 ' A' ' 35' ' ' LEU . 24.3 t80 -115.71 144.44 43.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -145.16 120.02 9.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.09 154.84 34.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.64 124.58 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.0 p -113.98 136.05 53.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.657 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.2 mt -146.1 160.37 42.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.8 p -82.34 148.59 59.67 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.5 -43.1 57.25 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.577 2.185 . . . . 0.0 112.266 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.7 -45.38 92.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.448 ' CD ' HD22 ' A' ' 102' ' ' LEU . 49.2 mt-30 -60.29 -49.9 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.657 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -62.67 -30.02 71.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.0 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.815 0.341 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.99 -55.57 33.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.48 -30.0 70.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.025 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -58.92 -49.51 77.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.014 HD22 HD11 ' A' ' 87' ' ' LEU . 23.1 mt -71.39 -31.21 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.546 ' NE ' HG23 ' A' ' 48' ' ' VAL . 11.3 ttp180 -67.58 -56.29 10.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.28 -31.19 70.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.026 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -59.82 -59.96 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.68 HD21 HG13 ' A' ' 83' ' ' VAL . 76.8 mt -62.2 -30.04 70.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -58.98 5.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.331 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.23 -29.97 60.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.189 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.92 -49.51 75.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.03 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.505 HD13 ' CZ ' ' A' ' 71' ' ' PHE . 4.8 mt -114.13 9.5 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.424 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 52.5 95.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.768 0.318 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.553 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -115.15 154.33 29.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -81.94 -41.36 20.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -146.71 127.0 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.3 m -128.74 155.41 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.06 133.06 16.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 51' ' ' GLU . 10.7 p -110.72 158.37 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 50' ' ' VAL . 17.1 tp10 -136.09 163.21 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.006 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.716 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.764 0.316 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -150.09 149.59 30.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -123.51 119.97 31.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.613 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.535 ' HB ' HD12 ' A' ' 39' ' ' LEU . 30.5 m -101.17 124.77 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.278 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.4 tm? -116.44 138.0 51.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.737 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.83 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.4 t -144.99 136.89 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.263 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.6 t -127.14 119.97 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.002 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -176.97 178.14 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -92.14 -17.5 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.44 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -33.19 26.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.785 0.326 . . . . 0.0 111.103 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.505 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 40.7 m-85 -75.06 -31.15 61.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.551 ' HG2' HG22 ' A' ' 103' ' ' THR . 3.8 mm-40 -62.97 -30.83 71.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.51 -49.46 37.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -85.61 148.04 48.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.679 0.276 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.63 -169.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.55 2.166 . . . . 0.0 112.332 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.694 ' O ' HD23 ' A' ' 76' ' ' LEU . 6.3 tt -83.01 -37.41 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 78' ' ' GLN . 4.1 pp -75.04 -30.57 61.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.996 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.408 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -71.6 -44.41 64.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -59.32 -40.13 85.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.838 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -71.79 -38.02 70.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 -69.28 -31.4 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.2 -49.71 73.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.68 HG13 HD21 ' A' ' 39' ' ' LEU . 21.9 t -59.92 -33.89 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 95.5 m-20 -70.93 -29.93 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.97 -60.07 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.0 p -63.15 -40.02 96.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.014 HD11 HD22 ' A' ' 35' ' ' LEU . 2.0 mm? -98.54 29.78 3.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 84' ' ' ASN . . . -71.61 -45.54 61.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.39 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.09 -38.0 61.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.08 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.657 ' HB2' HD13 ' A' ' 87' ' ' LEU . 1.4 mp0 -75.4 -30.0 59.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.413 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 91' ' ' LEU . 3.3 mt -48.19 -57.53 10.27 Favored Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.685 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 81.8 Cg_exo -44.7 -33.85 7.49 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.53 2.153 . . . . 0.0 112.579 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -75.07 -31.0 61.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.704 HG21 ' HD1' ' A' ' 97' ' ' PHE . 22.4 mm -75.69 110.46 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.27 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -32.33 72.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.471 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -149.18 116.24 6.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.801 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.704 ' HD1' HG21 ' A' ' 94' ' ' ILE . 8.5 t80 -117.45 138.64 51.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.039 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.63 119.97 14.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.705 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -109.07 151.25 26.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -147.27 119.99 8.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.806 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 p -114.03 132.03 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.668 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 6.6 mt -141.4 145.62 35.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.551 HG22 ' HG2' ' A' ' 72' ' ' GLU . 64.7 p -74.68 154.34 87.35 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.17 -47.8 25.56 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.549 2.166 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.02 -41.05 86.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.69 -41.94 96.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.668 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.1 t-105 -73.57 -37.41 65.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.798 0.333 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.36 -53.83 25.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.191 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -30.56 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -59.73 -55.04 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.969 HD22 HD13 ' A' ' 87' ' ' LEU . 40.6 mt -65.28 -31.28 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.403 ' HD3' HG12 ' A' ' 50' ' ' VAL . 11.9 ttp180 -68.09 -60.0 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.44 -40.48 96.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -60.04 -56.05 26.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.609 ' CD1' HG21 ' A' ' 64' ' ' VAL . 61.7 mt -60.17 -41.35 92.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.612 ' HB2' HG21 ' A' ' 48' ' ' VAL . 27.8 ttp180 -59.01 -45.25 91.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -75.32 -46.35 33.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.03 -49.74 76.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -80.9 -21.22 40.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 62.55 43.66 7.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.94 0.4 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.69 164.02 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.44 -61.15 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -130.31 147.75 52.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.612 HG21 ' HB2' ' A' ' 40' ' ' ARG . 30.8 m -145.83 159.73 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.195 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.01 129.2 12.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.491 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.2 p -108.9 158.46 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' N ' HG22 ' A' ' 50' ' ' VAL . 18.3 tp10 -147.29 163.69 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.766 -179.794 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.87 0.366 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -150.02 151.64 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.017 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -126.24 149.04 49.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.802 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.609 HG21 ' CD1' ' A' ' 39' ' ' LEU . 30.3 m -141.75 154.15 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.248 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -116.6 137.05 52.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.778 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.665 ' N ' HD13 ' A' ' 65' ' ' LEU . 19.3 t -133.19 125.76 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.416 HG23 HD12 ' A' ' 65' ' ' LEU . 21.8 t -133.52 119.96 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.92 165.09 3.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.35 -19.14 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.422 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -33.54 54.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.851 0.358 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.413 ' CD2' ' HB ' ' A' ' 101' ' ' THR . 2.7 m-85 -74.9 -30.9 61.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.986 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.765 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.4 OUTLIER -61.01 -31.05 70.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.91 -34.08 76.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.482 ' HD2' HD11 ' A' ' 82' ' ' LEU . 68.1 mttm -101.3 152.85 38.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.676 0.274 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.52 170.29 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.579 2.186 . . . . 0.0 112.276 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.93 -49.77 66.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 78' ' ' GLN . 4.0 pp -64.71 -31.49 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.481 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.3 tp-100 -65.48 -30.03 70.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -59.25 -54.95 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -60.36 -35.85 76.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -40.15 92.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.482 HD11 ' HD2' ' A' ' 74' ' ' LYS . 11.6 mt -63.68 -46.17 86.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.73 -37.93 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -66.96 -35.43 79.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.15 -37.58 87.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.06 -60.0 4.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.969 HD13 HD22 ' A' ' 35' ' ' LEU . 8.4 mt -99.58 47.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.19 -53.11 61.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.2 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -75.07 -32.57 61.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.2 -29.87 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.386 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.1 mt -51.41 -58.03 12.17 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.527 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.421 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.1 Cg_exo -44.96 -31.9 5.89 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.654 2.236 . . . . 0.0 112.541 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -74.98 -31.78 61.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.3 mm -74.99 117.12 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -63.36 -35.79 81.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.677 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.54 116.48 4.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.449 ' HE1' HD13 ' A' ' 35' ' ' LEU . 33.5 t80 -119.02 142.64 47.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.043 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -139.82 119.93 13.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.815 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -119.59 130.54 55.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.969 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.613 ' HB2' HD22 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -117.2 123.43 46.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.413 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 18.8 p -120.19 132.66 55.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.682 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 4.7 mt -144.94 165.91 26.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.765 HG22 ' HG2' ' A' ' 72' ' ' GLU . 16.7 p -79.56 147.6 67.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.19 -47.47 26.81 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.56 2.174 . . . . 0.0 112.262 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.91 -40.81 90.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.413 ' OE1' HD22 ' A' ' 102' ' ' LEU . 2.8 mt-30 -61.33 -55.01 36.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.682 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.9 t-105 -59.06 -34.46 71.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.2 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.032 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.798 0.333 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.79 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -59.97 -45.04 93.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -60.7 -31.09 70.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -61.29 -48.45 81.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 87' ' ' LEU . 46.8 mt -68.25 -36.94 80.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HD3' HG12 ' A' ' 50' ' ' VAL . 36.9 ttp180 -69.18 -53.6 19.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.22 -30.71 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -63.8 -60.06 3.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.686 HD21 HD23 ' A' ' 87' ' ' LEU . 3.5 mt -66.84 -30.0 70.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD3' HG21 ' A' ' 48' ' ' VAL . 20.5 ttp85 -57.56 -55.48 34.26 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.24 -30.61 60.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.065 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -57.02 10.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.62 -14.73 39.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.265 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 61.22 59.37 1.98 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.013 0.435 . . . . 0.0 110.807 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.85 174.27 11.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.152 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -94.01 -52.5 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -125.48 134.49 52.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.454 HG21 ' HD3' ' A' ' 40' ' ' ARG . 31.5 m -131.79 145.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -143.44 124.82 14.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.79 HG22 ' HB1' ' A' ' 32' ' ' ALA . 11.5 p -127.04 145.69 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -144.26 165.09 28.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t0 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.743 -179.858 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.495 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 2.2 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.811 0.338 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -150.06 150.21 31.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -127.72 140.57 51.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.768 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.36 146.87 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.601 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -133.52 133.94 42.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.833 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.601 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.4 t -134.85 128.0 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.234 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 t -134.33 119.87 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.89 179.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.59 -16.74 41.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.413 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -51.72 -33.42 34.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.82 0.343 . . . . 0.0 111.062 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.437 ' CD2' ' HB ' ' A' ' 101' ' ' THR . 23.2 m-85 -74.9 -30.66 61.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.62 -31.61 72.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.42 -49.77 74.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.414 ' HE3' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -97.06 159.64 30.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.708 0.289 . . . . 0.0 110.958 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.38 -175.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.178 . . . . 0.0 112.334 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tp -79.81 -44.31 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 78' ' ' GLN . 4.1 pp -75.06 -31.08 61.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.411 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -66.9 -48.07 69.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -59.58 -38.66 81.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -62.05 -39.24 91.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -70.53 -30.77 67.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.414 HD11 ' HE3' ' A' ' 74' ' ' LYS . 11.4 mt -58.93 -45.24 90.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.627 HG13 HD22 ' A' ' 39' ' ' LEU . 21.3 t -67.59 -36.49 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -74.92 -37.34 62.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.73 -51.12 71.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.0 t -60.07 -39.33 85.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.686 HD23 HD21 ' A' ' 39' ' ' LEU . 3.0 mm? -98.12 26.35 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.87 -43.22 96.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.391 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.14 -40.82 59.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.207 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -75.33 -32.53 60.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.689 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.7 mt -45.34 -57.02 8.16 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.749 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -44.72 -35.99 10.0 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.584 2.19 . . . . 0.0 112.501 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -75.12 -31.02 61.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.468 HG21 ' HD2' ' A' ' 97' ' ' PHE . 23.1 mm -74.79 113.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.287 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -61.18 -33.7 73.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.007 0.432 . . . . 0.0 110.462 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 61' ' ' SER . . . -150.04 116.27 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.749 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.533 ' HE2' HD13 ' A' ' 35' ' ' LEU . 11.4 t80 -116.81 120.66 39.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -128.95 119.95 25.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.717 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.37 141.52 51.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.33 120.03 27.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.789 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.437 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 73.4 p -109.16 135.14 50.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.768 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 6.6 mt -149.69 163.72 37.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.1 p -80.23 153.14 74.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.27 -53.98 5.99 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.53 2.154 . . . . 0.0 112.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.46 -36.31 75.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -44.38 97.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.768 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -74.87 -34.93 62.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.05 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 ttm . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.837 0.351 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -143.77 35.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.76 -61.82 3.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.52 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.93 122.72 27.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -100.74 167.62 10.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -164.88 -44.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -129.76 111.57 12.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -46.06 32.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.19 -179.64 5.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -93.99 152.03 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -63.44 157.85 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 m -139.41 164.01 31.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -156.43 175.59 13.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.83 121.71 1.98 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.19 108.11 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 111.068 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 m -68.9 146.48 52.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -101.79 117.05 34.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 m -142.27 148.93 49.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.87 134.31 25.36 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.602 2.201 . . . . 0.0 112.273 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -176.2 -68.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.83 153.73 22.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.15 -169.99 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.983 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -90.79 170.36 10.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.86 -155.96 7.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.48 -77.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.703 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -161.8 29.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.9 m -59.44 -30.33 68.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.969 0.414 . . . . 0.0 110.671 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.9 tpp -110.35 -26.21 9.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.944 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.703 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 9.0 mt-10 -100.26 131.03 46.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 30' ' ' LEU . 9.5 mp 59.31 95.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -150.79 156.88 42.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.684 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -59.97 -47.03 87.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -31.4 72.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -63.08 -52.27 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.672 HD22 HD13 ' A' ' 87' ' ' LEU . 38.4 mt -71.79 -31.34 66.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HD3' HG12 ' A' ' 50' ' ' VAL . 6.2 ttp180 -67.94 -57.73 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.07 -39.93 87.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -60.41 -50.29 74.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.74 -39.58 87.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -59.84 -50.66 72.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -38.95 60.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.7 -50.99 64.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.535 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 19.4 mt -84.19 -21.32 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 63.3 77.88 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.45 -176.66 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -100.86 -54.74 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -129.62 131.19 46.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.409 HG12 HG22 ' A' ' 66' ' ' VAL . 22.3 m -135.83 147.94 28.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -140.32 120.13 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.684 ' CG2' ' HB1' ' A' ' 32' ' ' ALA . 11.4 p -107.52 149.81 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -142.65 162.93 34.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -150.1 148.28 28.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.818 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.2 p -97.91 38.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 m 61.25 112.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.0 mt -60.4 -34.25 73.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -70.07 78.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -176.8 164.78 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 39.3 m -60.67 -42.21 96.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.79 142.35 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.415 HG23 ' CB ' ' A' ' 95' ' ' HIS . 2.7 t -133.65 127.15 32.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.6 p -140.33 152.23 45.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -131.55 130.08 41.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -111.73 130.29 55.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.8 m -127.88 136.05 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.745 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -125.01 142.08 51.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.745 ' N ' HD13 ' A' ' 65' ' ' LEU . 22.4 t -143.99 130.78 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -126.42 119.89 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.17 -176.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -103.01 -17.21 15.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.369 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.03 -30.28 47.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.908 0.385 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 9.1 m-85 -75.04 -31.58 61.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -41.53 93.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.84 -32.03 69.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.545 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.653 ' HD3' HD11 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -100.69 151.32 37.56 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.26 161.38 2.68 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.591 2.194 . . . . 0.0 112.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.29 -48.32 82.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.585 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -66.76 -30.79 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -66.53 -31.4 72.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -62.48 -56.66 15.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -61.58 -43.52 98.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -31.46 72.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.02 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.653 HD11 ' HD3' ' A' ' 74' ' ' LYS . 5.7 mt -64.21 -47.87 78.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.22 -33.12 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -72.45 -35.69 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.88 -39.77 94.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -59.47 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.672 HD13 HD22 ' A' ' 35' ' ' LEU . 7.2 mt -95.17 45.04 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.0 89.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.1 -35.56 61.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -75.27 -29.82 60.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.297 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.3 mt -49.49 -58.45 9.04 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.483 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.5 Cg_exo -44.9 -32.55 6.43 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.572 2.181 . . . . 0.0 112.619 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -74.93 -31.55 61.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.016 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.6 mm -74.05 114.45 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.415 ' CB ' HG23 ' A' ' 60' ' ' THR . 2.2 t-80 -65.23 -32.12 73.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.711 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 117.0 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.447 ' CE1' ' NE2' ' A' ' 99' ' ' GLN . 4.6 t80 -123.23 137.85 54.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.64 119.99 13.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.773 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.447 ' NE2' ' CE1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -121.53 152.44 39.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.49 120.07 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.9 p -111.17 140.64 45.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.656 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.8 mt -149.98 179.99 7.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.18 159.04 30.61 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.83 -29.99 41.18 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.469 2.112 . . . . 0.0 112.244 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -71.92 -43.05 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.791 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -66.17 -47.24 74.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.669 ' CH2' HD11 ' A' ' 65' ' ' LEU . 2.1 t-105 -60.14 -57.27 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 m -60.17 -31.06 69.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -60.08 -50.95 71.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -137.27 87.5 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 ptt85 -117.96 76.45 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -91.18 -42.7 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.87 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.847 0.356 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -176.42 165.95 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.01 48.93 2.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.38 145.93 37.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -159.69 99.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 60.54 172.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -129.57 87.91 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -157.74 175.59 13.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -127.84 176.83 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 63.55 139.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 59.99 102.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 m -89.99 104.46 17.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -84.09 -44.81 13.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.47 124.79 8.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.03 -45.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.309 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.2 m -151.64 154.87 37.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -131.71 160.3 35.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 m -148.94 159.97 36.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.054 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.07 148.59 23.52 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.577 2.185 . . . . 0.0 112.359 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -102.97 -58.73 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.28 103.64 0.16 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.49 167.01 11.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.357 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 60.61 91.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.76 28.43 13.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.76 -46.9 0.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.352 . . . . 0.0 111.111 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 61.9 28.76 17.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -30.11 66.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.673 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.2 mtt -110.04 -26.96 9.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.866 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 60.77 92.85 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.508 HD23 HD11 ' A' ' 94' ' ' ILE . 10.1 mp 60.41 111.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.8 m -106.97 171.84 7.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -69.21 -53.9 17.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -59.87 -30.09 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -58.94 -57.38 13.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.647 HD22 HD22 ' A' ' 87' ' ' LEU . 48.0 mt -65.86 -31.12 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -68.05 -54.6 17.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -59.56 -30.6 68.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -69.21 -58.82 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.482 HD22 HG13 ' A' ' 83' ' ' VAL . 58.3 mt -58.63 -32.5 69.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.023 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.6 ttp85 -59.83 -53.27 59.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -75.25 -32.19 61.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.043 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.94 -52.63 64.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.5 mt -98.19 -7.09 30.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.374 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 58.81 35.05 24.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.885 0.374 . . . . 0.0 110.806 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 165.72 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.57 -62.67 1.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.796 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.53 143.67 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.4 m -146.04 158.16 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -150.03 121.07 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.0 p -105.19 158.33 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.486 ' N ' HG22 ' A' ' 50' ' ' VAL . 3.8 tt0 -141.82 167.99 20.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -150.02 130.6 13.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.796 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.5 p -122.41 37.44 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 56' ' ' ASN . 2.4 m -137.37 119.95 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.7 mt -95.41 -40.44 9.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.401 ' O ' HG22 ' A' ' 54' ' ' THR . 4.2 p30 -101.63 -178.21 3.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -85.65 85.82 7.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -169.11 127.34 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 58' ' ' CYS . . . 69.02 -66.2 0.26 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.813 HG22 ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 63.19 77.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.004 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 p -92.5 143.45 26.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.778 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.813 ' CE2' HG22 ' A' ' 60' ' ' THR . 96.1 m-85 -140.5 150.93 44.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -138.39 120.07 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.644 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.441 HG12 HG23 ' A' ' 50' ' ' VAL . 29.6 m -118.63 154.27 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.322 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -123.44 137.85 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.74 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.763 ' N ' HD13 ' A' ' 65' ' ' LEU . 22.0 t -130.9 131.22 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.22 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.411 HG23 ' CD1' ' A' ' 65' ' ' LEU . 34.1 t -140.39 119.94 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.984 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.65 178.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.44 -18.6 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.355 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -50.62 -35.02 28.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.852 0.358 . . . . 0.0 111.061 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.449 ' CE2' ' HB ' ' A' ' 101' ' ' THR . 20.3 m-85 -75.06 -30.91 61.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.416 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.7 OUTLIER -61.75 -47.29 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.89 -59.99 9.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.65 ' HD3' HD11 ' A' ' 82' ' ' LEU . 14.6 mttp -77.83 157.48 79.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.691 0.281 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.4 -167.79 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.525 2.15 . . . . 0.0 112.3 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tt -83.78 -33.41 24.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.464 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -75.0 -32.75 61.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -73.06 -45.68 56.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 13.5 ptp180 -59.73 -44.26 93.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -63.13 -36.14 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -74.35 -32.31 62.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.65 HD11 ' HD3' ' A' ' 74' ' ' LYS . 9.1 mt -58.89 -49.99 75.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.482 HG13 HD22 ' A' ' 39' ' ' LEU . 22.0 t -61.44 -43.58 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.84 -40.54 83.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.37 -37.46 77.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.21 -57.48 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.647 HD22 HD22 ' A' ' 35' ' ' LEU . 4.8 mt -97.34 46.66 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.18 73.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.177 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.08 -34.55 61.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.07 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -75.14 -29.91 60.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.379 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.0 mt -50.24 -58.24 10.31 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.445 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.2 Cg_exo -44.78 -32.44 6.09 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.661 2.241 . . . . 0.0 112.521 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -74.98 -31.45 61.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.508 HD11 HD23 ' A' ' 30' ' ' LEU . 21.9 mm -75.05 114.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -65.95 -31.5 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.725 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -154.31 116.79 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.475 ' HE2' HD13 ' A' ' 35' ' ' LEU . 21.6 t80 -120.29 139.3 52.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -148.11 119.99 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -135.77 147.84 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -113.85 166.09 11.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.449 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 18.4 p -148.24 131.75 16.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.62 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 8.2 mt -149.36 161.57 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.452 ' HG1' ' HB2' ' A' ' 106' ' ' GLN . 25.8 p -84.53 155.26 62.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.54 -48.35 21.87 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.574 2.183 . . . . 0.0 112.248 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -31.0 68.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.452 ' HB2' ' HG1' ' A' ' 103' ' ' THR . 20.5 mt-30 -73.56 -53.88 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.62 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.4 t-105 -64.19 -47.71 78.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.6 m -57.82 -30.78 66.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.996 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -85.16 -40.27 16.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -103.23 51.08 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.9 53.55 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.55 78.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.873 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.805 0.336 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.77 89.52 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.06 168.14 25.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.527 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.49 -44.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -105.42 100.71 10.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -85.73 -45.52 11.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -60.26 101.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -120.66 -175.79 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -154.46 -45.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 63.17 -179.29 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 61.05 68.78 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 m -87.83 -62.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 m -122.9 150.94 42.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.76 43.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.31 92.44 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.323 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.91 96.79 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mt -123.31 108.54 12.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 20' ' ' ARG . 27.5 t 63.78 88.79 0.11 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.038 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.03 -28.22 29.0 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.503 2.135 . . . . 0.0 112.246 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 18' ' ' VAL . 8.9 tpt180 -85.2 143.72 28.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.59 28.46 67.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.466 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -174.26 36.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -103.82 35.5 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.04 73.84 0.28 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.543 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.1 -63.87 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.71 28.22 17.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.243 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -30.09 66.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.929 0.395 . . . . 0.0 110.664 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.0 mtm -110.01 -26.74 9.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.424 ' HG2' HD13 ' A' ' 30' ' ' LEU . 2.1 tt0 63.61 139.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.929 0.395 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD13 ' HG2' ' A' ' 29' ' ' GLU . 9.9 mp 58.8 101.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.72 161.01 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.57 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -59.6 -49.2 78.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -31.54 70.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -60.38 -52.74 63.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.761 HD22 HD22 ' A' ' 87' ' ' LEU . 34.1 mt -69.39 -30.82 68.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -69.54 -57.98 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -59.47 -36.6 76.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -60.21 -60.0 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.818 HD22 HG13 ' A' ' 83' ' ' VAL . 8.1 mt -66.54 -31.67 72.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -69.92 -44.21 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -75.44 -41.67 55.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.66 -51.61 69.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.743 HD13 ' CZ ' ' A' ' 71' ' ' PHE . 11.9 mt -85.52 -20.17 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 62.15 41.97 10.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.402 ' CB ' HG13 ' A' ' 66' ' ' VAL . . . -61.49 -177.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -96.37 -54.6 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.09 129.46 34.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 66' ' ' VAL . 29.4 m -128.12 160.16 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -147.82 127.38 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.57 HG22 ' HB1' ' A' ' 32' ' ' ALA . 11.1 p -122.73 143.84 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -139.17 174.06 10.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -150.03 145.42 26.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.7 p -106.32 35.64 2.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.5 m -132.07 141.46 49.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.9 mt -110.31 -50.19 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -67.39 173.45 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -70.96 81.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -168.79 171.38 8.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.595 ' HB1' ' HE2' ' A' ' 62' ' ' PHE . . . -133.57 116.52 16.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.6 m -111.43 -70.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.5 p -121.45 159.23 26.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.595 ' HE2' ' HB1' ' A' ' 59' ' ' ALA . 44.5 m-85 -149.98 149.58 30.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 50' ' ' VAL . 1.1 mtt180 -130.81 139.45 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.7 m -130.43 132.74 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -115.09 137.42 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.758 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.6 t -142.82 136.35 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.2 t -142.81 119.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.043 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.94 -178.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.11 -15.62 31.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.412 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -52.55 -35.91 54.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 0.0 111.059 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.743 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 12.0 m-85 -75.13 -30.35 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.001 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.0 -31.36 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.47 -30.04 76.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.59 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.777 ' CD ' HD11 ' A' ' 82' ' ' LEU . 10.7 mttm -112.13 154.68 44.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.48 173.01 8.32 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.562 2.174 . . . . 0.0 112.302 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.8 tp -58.43 -43.34 88.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 78' ' ' GLN . 3.5 pp -59.4 -32.87 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.6 tp60 -74.97 -37.02 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 83' ' ' VAL . 67.2 mtt180 -59.51 -43.45 93.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -74.85 -49.25 21.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -60.4 -34.12 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.777 HD11 ' CD ' ' A' ' 74' ' ' LYS . 11.0 mt -61.68 -55.61 28.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.818 HG13 HD22 ' A' ' 39' ' ' LEU . 30.2 t -60.42 -32.6 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' OD1' HD11 ' A' ' 91' ' ' LEU . 24.2 m-20 -70.32 -41.64 73.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -65.16 -34.76 79.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -60.04 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.835 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.761 HD22 HD22 ' A' ' 35' ' ' LEU . 3.8 mt -99.99 38.01 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.6 91.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -75.16 -42.16 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.29 -29.98 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.449 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.45 HD11 ' OD1' ' A' ' 84' ' ' ASN . 6.2 mt -46.49 -58.49 6.6 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.664 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.7 Cg_exo -44.9 -33.56 7.6 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.644 2.229 . . . . 0.0 112.517 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -74.97 -30.47 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.4 127.97 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -74.89 -34.12 62.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.699 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.09 116.89 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.957 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.574 ' HE2' HD13 ' A' ' 35' ' ' LEU . 40.0 t80 -120.68 136.31 54.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -138.66 127.78 24.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.75 158.23 40.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -144.67 120.13 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.5 p -108.85 133.77 52.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.777 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 9.3 mt -147.27 164.52 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.1 p -88.84 154.62 50.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.44 -48.98 19.02 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.563 2.175 . . . . 0.0 112.286 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.6 -33.96 72.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -70.47 -42.82 70.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.777 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.8 t-105 -73.57 -46.11 49.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 m -58.53 -31.12 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -27.27 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.956 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.85 43.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.1 mtm105 -141.48 36.86 1.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -63.85 136.59 57.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.0 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.837 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.2 mtt . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.746 0.307 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -132.35 -47.93 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.33 162.56 15.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.57 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.9 m -105.35 175.54 5.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -147.14 75.62 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 59.87 106.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -145.37 35.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -69.61 110.03 4.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 60.59 110.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -150.79 34.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -162.3 140.28 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.23 146.89 45.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.2 m -107.92 132.48 53.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.63 -142.47 11.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.546 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -154.55 -66.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.823 ' HB3' HD23 ' A' ' 17' ' ' LEU . 2.4 m -160.57 -74.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.823 HD23 ' HB3' ' A' ' 16' ' ' SER . 0.5 OUTLIER -156.92 126.95 6.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 m -134.96 72.36 68.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.06 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.42 -47.61 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.536 2.158 . . . . 0.0 112.259 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -178.71 -67.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.97 149.68 46.49 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.0 m -164.26 178.0 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.66 163.6 13.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -90.15 -159.43 35.53 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.543 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 24' ' ' GLY . . . 68.25 -68.95 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.63 -161.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 27' ' ' THR . 18.4 m 61.44 19.75 10.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.922 0.392 . . . . 0.0 110.481 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 179.14 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.686 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -92.78 153.17 19.04 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp 60.02 99.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -130.48 163.78 26.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -62.7 -50.22 71.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -59.95 -30.93 69.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -60.26 -46.49 89.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.109 HD22 HD13 ' A' ' 87' ' ' LEU . 22.0 mt -75.0 -31.38 61.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.669 ' HE ' HG12 ' A' ' 50' ' ' VAL . 1.1 ttm180 -67.51 -57.47 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.79 -38.09 80.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -60.34 -57.38 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.03 -46.64 80.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -45.45 91.14 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -75.29 -48.05 25.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -59.48 -59.98 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.648 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 18.5 mt -70.94 -23.72 62.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 62.84 82.35 0.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.402 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -113.6 176.39 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -57.03 3.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -128.45 138.91 52.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.0 m -140.17 151.86 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -139.68 122.71 16.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.669 HG12 ' HE ' ' A' ' 36' ' ' ARG . 12.0 p -115.63 157.07 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.187 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 50' ' ' VAL . 9.1 tp10 -150.03 158.07 43.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -150.1 138.34 20.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.3 p -97.08 39.79 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 54' ' ' THR . 7.7 t -65.56 115.39 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.1 mt 59.24 29.18 18.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -102.57 -70.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.57 156.64 1.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.9 m 60.66 -169.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.8 153.86 40.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.09 102.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.414 ' CB ' ' HB3' ' A' ' 96' ' ' ALA . 6.2 m -119.95 128.83 53.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.519 ' HD1' HG23 ' A' ' 94' ' ' ILE . 86.5 m-85 -107.4 140.68 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -126.61 120.01 28.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.1 m -118.87 141.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.106 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 66' ' ' VAL . 1.2 tm? -128.52 140.76 51.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.837 ' N ' HD13 ' A' ' 65' ' ' LEU . 18.7 t -138.99 143.31 31.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.3 t -145.19 122.6 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.59 172.52 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.35 -21.16 27.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.354 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.99 -30.61 59.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.648 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 2.6 m-85 -74.98 -31.25 61.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.646 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.5 OUTLIER -60.32 -31.22 70.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.35 -32.24 83.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -106.85 157.43 35.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.665 0.269 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.37 -168.76 0.27 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.647 2.231 . . . . 0.0 112.229 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 tt -84.93 -31.29 23.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.504 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -75.07 -33.59 61.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -75.06 -50.75 15.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.432 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 18.7 ptt180 -60.21 -44.01 95.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -61.29 -37.85 84.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.485 ' NH2' HD12 ' A' ' 77' ' ' LEU . 7.9 mtm180 -72.44 -31.78 65.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' HB3' HD21 ' A' ' 43' ' ' LEU . 11.0 mt -60.21 -38.91 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.51 -42.58 78.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -69.18 -40.77 77.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -63.5 -34.02 76.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -60.0 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.109 HD13 HD22 ' A' ' 35' ' ' LEU . 5.4 mt -104.33 52.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.87 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -75.13 -35.81 61.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.997 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.23 -29.91 60.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.359 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.2 mt -49.12 -58.57 8.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.54 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.424 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.3 Cg_exo -44.92 -32.66 6.59 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.506 2.137 . . . . 0.0 112.607 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -75.0 -31.61 61.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.519 HG23 ' HD1' ' A' ' 62' ' ' PHE . 24.2 mm -73.68 117.23 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -64.28 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' ' 61' ' ' SER . . . -155.88 116.99 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.977 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.576 ' HE2' HD13 ' A' ' 35' ' ' LEU . 25.7 t80 -123.36 139.75 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -143.38 120.03 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -114.59 142.8 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -135.05 126.73 29.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.2 p -119.91 139.12 52.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.692 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 7.2 mt -148.62 156.52 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.646 HG22 ' HG2' ' A' ' 72' ' ' GLU . 16.0 p -79.33 154.86 76.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.49 -48.96 19.16 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.589 2.193 . . . . 0.0 112.291 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.04 -36.84 75.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -64.44 -48.48 75.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.692 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.5 t-105 -71.52 -35.82 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.1 m -60.31 -31.38 70.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -31.11 65.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -98.21 35.69 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -119.75 80.14 1.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -106.22 40.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.844 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.81 -37.41 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -110.46 165.34 12.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.519 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.7 p -157.31 -59.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m 60.87 178.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -148.15 -46.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.07 101.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -90.92 -24.58 20.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.96 128.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.73 154.12 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -107.7 166.54 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.2 m -107.43 -36.88 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.3 m 60.51 158.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.97 -67.48 3.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.29 106.28 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 t -131.32 102.29 5.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -88.91 -65.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 18' ' ' VAL . 11.4 p -166.96 62.16 0.65 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.04 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.67 172.87 11.77 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.586 2.191 . . . . 0.0 112.326 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -161.81 80.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.9 -148.54 11.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.537 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.2 m 60.34 103.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.28 -68.52 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.24 87.78 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -164.47 154.39 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.73 28.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.26 -30.3 66.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.672 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 40.4 mtt -110.35 -26.99 9.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.883 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.41 160.54 16.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp 60.01 33.01 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m -93.66 159.11 15.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.741 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -62.02 -50.17 73.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.48 -30.05 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -59.68 -48.81 80.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.879 HD22 HD13 ' A' ' 87' ' ' LEU . 18.3 mt -74.93 -33.62 61.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' HD3' HG12 ' A' ' 50' ' ' VAL . 47.5 ttp85 -69.84 -48.24 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -60.07 -47.38 86.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -59.93 -50.82 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.24 -51.99 57.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HB2' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -59.45 -41.36 89.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.052 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -75.35 -44.03 47.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.057 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -67.68 -59.95 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' A' ' 71' ' ' PHE . 84.5 mt -67.69 -25.25 65.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.035 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 62.0 51.62 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.932 0.396 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.89 179.45 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.15 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -94.62 -51.64 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -137.66 121.6 17.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.6 m -123.1 161.15 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -149.54 128.33 12.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.741 ' CG2' ' HB1' ' A' ' 32' ' ' ALA . 11.0 p -121.02 145.5 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.94 166.06 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -150.01 119.98 7.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.2 p -98.82 78.94 2.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.23 162.58 31.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.5 mt -130.68 -46.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -129.6 -67.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -170.51 91.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -176.79 100.05 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.02 84.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -76.63 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.702 ' HA ' ' HB3' ' A' ' 96' ' ' ALA . 16.5 m 59.95 109.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -116.57 161.24 19.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -145.14 120.16 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.498 HG12 HG23 ' A' ' 50' ' ' VAL . 23.6 m -120.37 141.89 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.215 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -112.82 152.27 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.759 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.493 ' HA ' HG12 ' A' ' 48' ' ' VAL . 20.2 t -149.98 119.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.261 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.96 119.94 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.014 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.93 -172.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -98.37 -0.05 44.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.541 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -59.69 -39.77 85.67 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.813 0.34 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.575 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 27.8 m-85 -74.98 -30.39 61.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.99 -30.22 70.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.94 -49.78 74.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.577 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -104.16 163.05 18.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.666 0.27 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.5 -175.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.523 2.148 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.414 ' C ' HD23 ' A' ' 76' ' ' LEU . 8.8 tt -78.74 -33.85 46.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.05 -31.81 61.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.01 -45.84 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.436 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 7.8 ptp180 -60.09 -38.07 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -67.12 -36.51 82.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -71.09 -33.23 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -60.16 -45.73 92.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.73 -42.07 94.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.54 -40.57 80.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.31 -32.23 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.05 -60.02 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.879 HD13 HD22 ' A' ' 35' ' ' LEU . 4.2 mt -108.04 44.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.9 92.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -75.06 -36.05 61.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.507 ' OE2' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.3 -29.85 60.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.368 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.413 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.3 mt -48.66 -57.83 9.98 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.589 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.7 Cg_exo -44.89 -31.16 5.01 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.668 2.246 . . . . 0.0 112.583 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -75.0 -32.23 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.4 mm -74.29 113.62 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -60.58 -33.69 73.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.736 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.702 ' HB3' ' HA ' ' A' ' 61' ' ' SER . . . -148.18 118.68 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.988 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -123.18 133.65 54.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -140.7 120.0 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.466 ' OE1' HG23 ' A' ' 101' ' ' THR . 1.6 pp0? -126.94 145.75 50.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.43 ' HB3' HD13 ' A' ' 65' ' ' LEU . 5.2 tptt -124.87 130.82 53.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.807 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.466 HG23 ' OE1' ' A' ' 99' ' ' GLN . 72.0 p -121.21 126.27 49.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.66 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.1 mt -149.15 172.64 14.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.0 p -92.85 155.59 41.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.97 -50.26 13.83 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.569 2.179 . . . . 0.0 112.308 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.26 -41.59 89.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -59.72 -48.49 81.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.66 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -67.69 -44.89 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m -65.85 -31.72 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -27.59 34.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -95.98 39.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -109.17 33.68 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -123.54 80.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.776 0.322 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.04 84.2 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.47 -91.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.526 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -60.28 113.09 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -92.18 79.96 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -108.59 -33.31 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.31 116.91 14.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -106.64 137.61 44.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -149.74 131.26 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -144.68 -47.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.48 161.22 42.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 t -133.69 119.78 19.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 p -139.04 -47.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.08 149.16 19.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.456 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.1 -61.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -156.52 113.78 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tp -123.53 137.93 54.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.5 t -127.78 88.6 52.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.33 170.13 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.14 -63.31 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.99 164.8 49.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.613 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -149.42 156.54 42.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -149.76 84.65 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.82 31.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.525 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -175.35 134.91 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.342 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.37 28.19 1.86 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -30.25 67.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.696 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.6 mtt -110.25 -26.88 9.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.908 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.95 99.93 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' ' 90' ' ' GLU . 4.1 mm? -43.94 150.21 0.28 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.55 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.3 m -144.62 145.41 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.599 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -65.8 -46.27 79.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -31.46 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -60.96 -46.05 92.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.709 HD22 HD13 ' A' ' 87' ' ' LEU . 20.4 mt -73.12 -31.14 64.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -67.2 -59.97 2.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.43 -32.92 71.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -65.12 -59.97 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.7 mt -59.39 -31.36 69.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HB2' HG21 ' A' ' 48' ' ' VAL . 7.6 ttp180 -59.52 -59.21 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -75.2 -39.27 60.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.1 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -59.1 -59.94 4.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.53 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 32.8 mt -79.96 -18.23 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 63.66 77.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.18 174.53 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -89.78 -51.64 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -135.1 120.13 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.487 HG12 HG13 ' A' ' 66' ' ' VAL . 22.9 m -116.32 152.96 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -143.75 144.28 31.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.599 ' CG2' ' HB1' ' A' ' 32' ' ' ALA . 11.0 p -126.56 158.31 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.48 ' N ' HG22 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -141.65 166.92 23.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -150.06 138.01 20.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.825 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.3 p -146.67 82.65 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 59' ' ' ALA . 2.6 m -85.11 138.18 32.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 mt -131.73 31.3 4.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -176.85 -179.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.26 31.89 4.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.7 m -147.96 -55.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.597 ' HB1' ' CG ' ' A' ' 95' ' ' HIS . . . -77.44 162.72 26.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.9 p -157.22 104.87 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.422 ' OG ' ' HB3' ' A' ' 96' ' ' ALA . 17.5 m -87.37 152.32 22.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -150.05 144.95 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.13 120.12 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.547 HG11 ' CZ ' ' A' ' 97' ' ' PHE . 31.4 m -101.56 135.32 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.875 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.0 tm? -133.18 139.29 46.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.875 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.4 t -144.23 141.61 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.229 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 t -133.65 119.98 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 t -176.29 175.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.64 -22.18 21.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.323 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.34 -33.17 52.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.53 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 3.3 m-85 -75.06 -30.06 60.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.682 ' HG2' HG22 ' A' ' 103' ' ' THR . 3.8 mm-40 -63.2 -37.56 87.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.97 -54.72 35.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.538 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -77.83 157.24 79.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.662 0.268 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.14 -171.17 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.57 2.18 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.3 tt -78.41 -31.22 48.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.504 HD12 ' OE1' ' A' ' 78' ' ' GLN . 0.3 OUTLIER -74.96 -31.16 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.504 ' OE1' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -73.84 -44.83 54.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.686 ' O ' HG23 ' A' ' 83' ' ' VAL . 11.2 ptp180 -59.01 -40.45 84.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -74.62 -31.45 62.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -73.95 -40.23 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.475 ' HB3' HD21 ' A' ' 43' ' ' LEU . 12.1 mt -63.05 -44.24 96.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 79' ' ' ARG . 26.8 t -67.73 -44.48 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -65.68 -47.48 75.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.35 -31.0 69.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.55 -58.6 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.709 HD13 HD22 ' A' ' 35' ' ' LEU . 4.2 mt -102.91 39.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.79 80.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -75.17 -42.19 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.664 ' HB3' HD11 ' A' ' 30' ' ' LEU . 7.0 mp0 -75.27 -29.94 60.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.429 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.3 mt -46.42 -58.52 6.49 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.575 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.9 Cg_exo -44.95 -33.61 7.76 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.196 . . . . 0.0 112.546 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -75.02 -30.99 61.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.1 mm -74.42 122.72 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.597 ' CG ' ' HB1' ' A' ' 59' ' ' ALA . 8.1 t-160 -68.18 -34.91 77.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.69 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.422 ' HB3' ' OG ' ' A' ' 61' ' ' SER . . . -149.17 116.95 6.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.978 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.547 ' CZ ' HG11 ' A' ' 64' ' ' VAL . 18.7 t80 -121.87 130.79 53.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -121.74 119.98 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -100.12 123.96 44.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.434 ' HE2' HD23 ' A' ' 65' ' ' LEU . 6.6 ttpt -132.77 124.14 27.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.802 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.1 p -126.09 144.39 50.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.709 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 11.0 mt -150.02 163.32 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.682 HG22 ' HG2' ' A' ' 72' ' ' GLU . 19.6 p -88.71 151.32 47.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.8 -44.36 49.9 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.496 2.131 . . . . 0.0 112.298 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -59.89 -46.05 90.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -60.06 -49.55 77.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.709 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 3.4 t-105 -61.44 -50.94 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.8 m -58.03 -54.95 41.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -60.09 -31.74 70.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -142.89 81.21 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.61 36.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -65.04 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.864 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ttm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.75 0.309 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -112.75 -52.76 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.88 31.2 75.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.525 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.53 146.68 34.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.44 84.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 60.31 159.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -136.6 82.66 1.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -168.87 34.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.8 p-80 -112.12 123.4 50.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -145.76 176.06 9.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -125.91 124.97 41.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.57 -169.36 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 m -160.44 -73.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.33 -156.46 26.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.82 156.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 t -112.08 32.12 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -125.56 -177.42 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -147.5 127.5 6.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.23 -29.01 22.27 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.431 2.087 . . . . 0.0 112.356 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -58.7 117.39 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.35 98.44 0.13 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 p -61.53 -170.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -124.89 162.1 25.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.05 -114.35 6.74 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 65.93 -74.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.76 0.314 . . . . 0.0 111.215 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.4 30.82 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.194 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.7 m -58.03 -30.41 66.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.619 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 ttm -109.72 -24.41 10.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.97 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.415 ' HG2' HD12 ' A' ' 30' ' ' LEU . 0.9 OUTLIER 61.67 160.51 0.06 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.871 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD12 ' HG2' ' A' ' 29' ' ' GLU . 10.3 mp 59.32 77.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -137.64 -179.4 5.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.597 ' O ' HG21 ' A' ' 50' ' ' VAL . . . -74.99 -53.01 9.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -31.57 72.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -60.29 -59.45 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.842 HD22 HD13 ' A' ' 87' ' ' LEU . 40.7 mt -61.68 -30.63 70.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -69.74 -60.03 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -60.09 -36.81 78.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HD3' HD23 ' A' ' 87' ' ' LEU . 28.0 tttp -60.09 -42.15 94.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.3 mt -75.06 -49.43 19.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.78 ' HB2' HG11 ' A' ' 48' ' ' VAL . 1.2 tmt_? -58.51 -37.9 76.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -75.33 -45.96 36.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.08 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.16 -60.02 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.639 HD22 ' CZ ' ' A' ' 71' ' ' PHE . 11.9 mt -65.78 -24.92 67.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.079 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 62.1 46.24 6.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.756 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.31 -176.12 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -97.02 -53.72 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -122.31 146.21 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.78 HG11 ' HB2' ' A' ' 40' ' ' ARG . 16.7 m -142.62 154.76 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -150.02 130.48 13.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 32' ' ' ALA . 10.9 p -127.71 150.14 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -150.01 174.89 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -149.95 145.29 26.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.76 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.7 p -133.1 37.27 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.404 HG21 ' HA ' ' A' ' 60' ' ' THR . 23.6 p -106.26 -77.79 0.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.7 mt 57.93 31.18 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -136.49 172.33 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -103.23 31.45 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.7 p -160.65 31.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -151.84 155.25 37.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.722 HG23 ' H ' ' A' ' 95' ' ' HIS . 1.4 t -158.53 100.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.4 p -153.17 130.92 11.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.5 m-85 -139.37 162.57 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.502 HH12 HD23 ' A' ' 65' ' ' LEU . 8.8 ttt-85 -126.42 120.04 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.79 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.449 ' CG2' ' CZ ' ' A' ' 97' ' ' PHE . 24.8 m -105.79 146.69 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.795 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -129.61 139.5 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.812 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.795 ' N ' HD13 ' A' ' 65' ' ' LEU . 16.4 t -139.75 145.15 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.232 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.6 t -150.0 119.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.38 168.45 2.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.14 -18.93 52.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.364 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -33.04 62.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.777 0.323 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.639 ' CZ ' HD22 ' A' ' 43' ' ' LEU . 2.6 m-85 -75.0 -30.53 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.603 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.5 OUTLIER -58.68 -34.56 71.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.65 -29.91 67.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -111.01 154.36 43.47 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.636 0.255 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.32 174.17 5.42 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.629 2.219 . . . . 0.0 112.298 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 tp -59.81 -46.15 90.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.407 HD12 HE22 ' A' ' 78' ' ' GLN . 0.5 OUTLIER -59.69 -32.71 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.974 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.407 HE22 HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -75.04 -31.97 61.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HG2' ' CD1' ' A' ' 71' ' ' PHE . 31.3 mtt180 -59.77 -59.5 5.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -60.23 -31.35 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -36.15 78.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB3' HD21 ' A' ' 43' ' ' LEU . 12.4 mt -64.87 -49.37 70.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.417 HG21 ' OE1' ' A' ' 99' ' ' GLN . 21.3 t -59.72 -42.09 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.33 -43.52 94.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.26 -34.36 75.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.13 -59.92 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.842 HD13 HD22 ' A' ' 35' ' ' LEU . 6.2 mt -100.63 36.61 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.802 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.77 -31.54 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.38 -48.74 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -75.36 -29.93 60.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.625 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.409 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.3 mt -45.06 -58.05 6.22 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.645 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.9 Cg_exo -44.91 -34.62 8.94 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.644 2.23 . . . . 0.0 112.514 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -74.93 -30.41 61.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.0 mm -75.33 129.2 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.722 ' H ' HG23 ' A' ' 60' ' ' THR . 66.3 t-80 -74.34 -33.96 63.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.732 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.52 116.82 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.987 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.582 ' HE1' HD13 ' A' ' 35' ' ' LEU . 49.9 t80 -123.38 123.32 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -114.68 121.57 43.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.417 ' OE1' HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -127.53 142.92 51.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -137.65 128.08 26.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.974 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 p -117.7 136.75 53.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.659 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.0 mt -145.85 178.26 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.603 HG22 ' HG2' ' A' ' 72' ' ' GLU . 40.4 p -92.74 155.77 41.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.79 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 103' ' ' THR . 40.0 Cg_endo -66.82 -36.37 24.0 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.594 2.196 . . . . 0.0 112.268 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.7 -33.28 72.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.541 ' OE1' HD22 ' A' ' 102' ' ' LEU . 81.4 mt-30 -74.94 -48.07 26.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.659 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 3.6 t-105 -59.55 -30.92 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 90.3 m -60.0 -27.87 67.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -96.68 25.91 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.69 27.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -140.01 33.61 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -76.06 -31.86 59.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.194 -0.907 . . . . 0.0 110.883 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.842 0.353 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.9 -67.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.0 38.47 5.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -103.38 -60.88 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -60.41 145.28 48.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 8' ' ' HIS . 31.0 m170 -125.92 -44.92 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.8 m170 68.86 -67.61 0.21 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.419 ' CE1' ' HB3' ' A' ' 6' ' ' HIS . 39.2 m170 61.06 157.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -98.6 29.0 3.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -179.03 -169.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.24 -169.39 2.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -128.17 -74.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.9 m -126.68 -44.67 1.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.59 160.85 21.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.61 118.03 21.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.1 m -113.3 -41.46 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.68 90.58 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 m -118.85 149.77 47.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.54 -175.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.514 2.142 . . . . 0.0 112.294 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.11 -71.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.65 -135.19 51.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.571 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 p -131.93 80.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -140.99 141.0 34.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.12 61.86 0.18 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.16 110.54 21.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -98.08 28.19 4.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.4 p -58.45 -30.14 66.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.64 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 tpp -110.55 -27.5 8.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.831 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.42 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 4.5 mm-40 -88.3 120.52 29.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 90' ' ' GLU . 4.1 mm? -44.15 159.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.491 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -161.85 136.72 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.429 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -61.08 -47.45 86.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -31.39 69.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -68.13 -47.51 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.76 HD22 HD13 ' A' ' 87' ' ' LEU . 34.7 mt -67.47 -36.53 81.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.043 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.617 ' NE ' HG23 ' A' ' 48' ' ' VAL . 1.3 ttt180 -70.66 -47.4 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.63 -35.64 81.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -60.0 -60.01 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.45 -30.76 70.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -59.94 -60.18 4.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -75.17 -35.61 61.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.07 -52.81 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.055 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.519 HD21 HD13 ' A' ' 82' ' ' LEU . 6.3 mt -93.16 -15.5 25.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.275 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 62.35 60.05 1.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 0.0 110.773 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' CB ' HG13 ' A' ' 66' ' ' VAL . . . -85.57 170.82 12.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.2 -53.83 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -130.2 137.1 49.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.807 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.617 HG23 ' NE ' ' A' ' 36' ' ' ARG . 14.5 m -141.01 147.3 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -144.19 132.62 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.431 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.1 p -125.4 155.25 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 50' ' ' VAL . 11.2 pt-20 -146.74 167.73 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -150.0 138.19 20.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 p -94.16 64.01 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 55' ' ' LEU . 24.7 m -163.7 162.96 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.433 ' N ' HG22 ' A' ' 54' ' ' THR . 18.0 mt -142.83 -47.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -132.42 43.97 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.7 -168.25 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.5 p -96.57 39.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' HB1' ' CZ ' ' A' ' 62' ' ' PHE . . . 59.54 161.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.105 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.8 m -143.14 -67.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.61 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 12.1 t -121.34 149.13 43.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.436 ' CZ ' ' HB1' ' A' ' 59' ' ' ALA . 73.9 m-85 -135.42 155.16 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -138.02 124.62 20.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.447 HG22 ' CE1' ' A' ' 97' ' ' PHE . 29.9 m -110.95 131.68 61.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.675 HD11 ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -117.76 135.38 54.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.605 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.5 t -144.24 143.06 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.219 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 t -147.52 119.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.07 -170.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.9 -17.35 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.438 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -52.68 -31.48 37.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.882 0.372 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.445 ' CZ ' ' CG2' ' A' ' 101' ' ' THR . 16.2 m-85 -75.0 -31.51 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -31.35 71.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.67 -40.66 99.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.643 ' HD2' HD11 ' A' ' 82' ' ' LEU . 17.7 mttt -104.02 153.15 39.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.667 0.27 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.84 167.57 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.573 2.182 . . . . 0.0 112.269 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.495 ' O ' HD23 ' A' ' 76' ' ' LEU . 4.9 tt -64.65 -43.22 94.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.59 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.02 -33.6 76.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.95 -30.15 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.414 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 68.3 mtt180 -59.13 -56.49 21.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -60.1 -34.48 73.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -70.26 -31.22 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.643 HD11 ' HD2' ' A' ' 74' ' ' LYS . 11.4 mt -66.06 -49.94 65.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.406 HG11 ' HG2' ' A' ' 99' ' ' GLN . 21.5 t -59.7 -35.86 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.96 -38.78 79.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.48 -42.89 98.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -56.78 17.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.76 HD13 HD22 ' A' ' 35' ' ' LEU . 8.4 mt -99.01 40.98 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.88 85.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -75.06 -36.74 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.554 ' HB3' HD11 ' A' ' 30' ' ' LEU . 9.3 mp0 -75.35 -29.91 60.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.497 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.7 mt -48.37 -57.85 9.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.659 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.6 Cg_exo -44.85 -33.28 7.13 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.584 2.189 . . . . 0.0 112.658 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -75.04 -30.8 61.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.0 mm -75.52 122.24 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -74.54 -31.75 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 61' ' ' SER . . . -149.63 120.18 7.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 98' ' ' GLU . 9.1 t80 -131.15 144.43 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.047 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.45 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 3.5 tt0 -130.95 119.95 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.782 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.406 ' HG2' HG11 ' A' ' 83' ' ' VAL . 5.5 mt-30 -100.32 126.54 46.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.631 ' HB3' HD22 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -127.91 120.03 26.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.782 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.445 ' CG2' ' CZ ' ' A' ' 71' ' ' PHE . 18.3 p -129.85 129.7 44.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.685 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 6.9 mt -150.07 162.15 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.03 162.58 51.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.55 -42.86 6.44 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.489 2.126 . . . . 0.0 112.23 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -40.09 89.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -68.09 -50.43 55.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.685 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.8 t-105 -59.78 -30.8 69.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.0 m -60.09 -33.34 71.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -68.06 -32.82 73.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -117.24 66.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.67 35.78 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -130.39 31.45 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.905 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.738 0.304 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -97.64 -74.57 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.73 -154.79 20.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 m -141.9 125.93 17.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.27 127.44 41.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -125.57 81.06 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.18 146.29 25.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.797 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -106.25 90.42 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -172.84 79.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 60.04 30.6 20.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -129.18 -47.51 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.806 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t -103.42 36.89 2.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.59 93.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.93 -36.6 5.98 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.555 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.14 30.98 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 111.07 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m 60.75 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.68 130.8 32.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.72 91.54 3.55 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.47 111.53 2.56 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.591 2.194 . . . . 0.0 112.307 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -157.17 132.39 9.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.29 -171.36 15.23 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -60.71 86.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.719 0.295 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.28 -69.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.97 71.62 1.31 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.46 -169.14 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.23 21.94 8.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.4 m -63.49 -29.97 71.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.966 0.412 . . . . 0.0 110.66 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.8 mtt -111.9 -25.0 9.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.33 90.13 3.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -43.47 150.1 0.23 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.62 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -130.1 153.76 48.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.68 -52.43 25.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -32.03 71.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -60.75 -54.47 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.705 HD22 HD13 ' A' ' 87' ' ' LEU . 87.9 mt -62.32 -41.2 98.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.599 ' HD3' HG12 ' A' ' 50' ' ' VAL . 30.7 ttp180 -60.77 -60.1 4.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.13 -35.06 74.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -63.18 -60.02 3.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.592 HD22 HG13 ' A' ' 83' ' ' VAL . 14.1 mt -64.16 -35.72 81.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -59.23 -52.24 66.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -75.37 -42.0 55.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -59.54 -51.39 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 82' ' ' LEU . 6.2 mt -85.55 -20.92 28.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.07 78.39 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.77 -175.42 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -100.78 -53.91 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -131.33 125.84 33.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.536 HG12 HG22 ' A' ' 66' ' ' VAL . 7.5 m -124.95 150.07 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.99 126.52 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.599 HG12 ' HD3' ' A' ' 36' ' ' ARG . 11.4 p -119.95 151.67 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -131.78 159.11 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -150.1 122.36 8.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.761 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.1 p -92.39 -54.06 3.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 59' ' ' ALA . 63.8 m 61.42 154.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.5 mt -124.78 -43.93 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -170.2 108.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 64.33 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.44 103.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' HA ' HG23 ' A' ' 54' ' ' THR . . . -66.8 112.59 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.8 p -112.51 159.68 18.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.8 115.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -134.88 158.06 45.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -130.6 127.45 39.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.411 ' CG2' ' CE1' ' A' ' 97' ' ' PHE . 30.7 m -112.73 129.07 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 66' ' ' VAL . 1.2 tm? -125.98 142.89 51.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.865 ' N ' HD13 ' A' ' 65' ' ' LEU . 22.1 t -147.44 138.27 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.25 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.2 t -132.27 119.98 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.924 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.31 -176.91 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.928 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -102.61 -14.5 16.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.498 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -55.3 -30.86 61.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -75.01 -31.01 61.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.13 -30.89 68.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.39 -49.01 83.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.424 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -99.2 154.33 37.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.829 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.54 173.94 7.08 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.583 2.189 . . . . 0.0 112.27 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.582 HD12 ' HE ' ' A' ' 79' ' ' ARG . 11.4 tp -59.45 -43.96 93.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.434 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -59.22 -31.32 68.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -74.96 -57.54 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.582 ' HE ' HD12 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -59.33 -33.87 71.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.487 ' NE2' HD11 ' A' ' 76' ' ' LEU . 13.5 m170 -70.04 -38.52 75.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -75.0 -31.27 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.564 ' HB3' HD21 ' A' ' 43' ' ' LEU . 11.5 mt -60.07 -55.62 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.592 HG13 HD22 ' A' ' 39' ' ' LEU . 21.7 t -61.71 -34.08 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -72.06 -44.8 62.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.24 -34.64 76.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.002 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.22 -57.72 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.705 HD13 HD22 ' A' ' 35' ' ' LEU . 11.2 mt -98.33 46.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.27 -53.69 53.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.08 -32.03 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.21 -29.89 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.298 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.9 mt -51.2 -58.41 10.64 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.479 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.3 Cg_exo -45.02 -31.85 5.97 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.613 2.209 . . . . 0.0 112.541 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -74.97 -31.92 61.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.9 mm -73.7 109.95 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.216 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -60.81 -32.14 71.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.752 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.72 116.87 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.972 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.461 ' HE2' HD13 ' A' ' 35' ' ' LEU . 23.9 t80 -121.27 136.57 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -138.53 119.92 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.91 149.9 36.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.29 119.91 8.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 p -111.43 127.93 55.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.757 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 11.9 mt -141.42 151.74 43.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 p -81.13 155.77 72.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.81 -46.5 33.24 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.575 2.183 . . . . 0.0 112.318 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -31.17 68.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -73.63 -52.67 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.757 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.8 t-105 -61.53 -44.65 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.3 m -60.21 -30.95 69.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.8 mmm-85 -91.11 -25.36 19.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -96.87 34.99 1.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.58 33.54 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -88.66 169.79 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.874 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 ttm . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.893 0.378 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -106.31 146.07 30.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.97 -116.73 1.62 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.62 170.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.387 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.91 90.77 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -106.58 -31.87 8.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -83.47 -64.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -122.25 172.26 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.45 101.44 11.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -66.05 -176.97 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 68.94 -67.31 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 m -171.15 145.22 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 p -175.87 104.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.98 130.03 1.08 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.581 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.34 107.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.68 -63.31 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.2 tp -106.08 151.2 25.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.7 t -127.57 89.43 51.1 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.68 -27.19 32.39 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.552 2.168 . . . . 0.0 112.33 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -59.31 123.23 16.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.99 132.93 46.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.93 -31.34 11.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 61.32 154.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.02 -179.84 21.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.83 104.99 17.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.33 28.73 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 m -57.89 -30.16 65.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.7 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 54.6 mtt -110.29 -27.45 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.87 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 58.36 76.43 0.34 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.843 HD12 HD11 ' A' ' 94' ' ' ILE . 4.1 mm? -44.13 127.59 5.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.576 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -156.23 153.4 29.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.57 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -63.39 -47.83 80.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -34.72 74.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.87 -58.06 9.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.971 HD22 HD13 ' A' ' 87' ' ' LEU . 35.9 mt -61.03 -33.45 73.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.489 ' HD2' HG12 ' A' ' 50' ' ' VAL . 40.9 ttt-85 -64.24 -60.04 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.36 -32.5 73.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -64.12 -60.01 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.2 mt -59.99 -32.11 70.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -59.34 -60.17 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.08 -31.44 61.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.019 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.9 -55.24 20.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 82' ' ' LEU . 15.4 mt -87.54 -18.18 30.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 66.96 87.03 0.13 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -123.75 177.58 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.05 -57.16 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -127.93 130.95 49.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.7 m -127.78 143.71 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -131.95 127.76 37.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.57 HG22 ' HB1' ' A' ' 32' ' ' ALA . 11.2 p -122.08 141.83 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -129.18 160.94 31.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -150.08 136.81 19.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.79 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.5 p -81.62 -48.67 11.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.512 HG21 ' HB2' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -161.68 -176.14 5.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' H ' HG22 ' A' ' 54' ' ' THR . 12.1 mt -126.3 -47.68 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -106.98 36.06 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.512 ' HB2' HG21 ' A' ' 54' ' ' THR . 13.8 ttt180 -123.57 158.43 31.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.3 t -63.88 145.47 55.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.415 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . . . 60.4 77.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 60' ' ' THR . 3.9 t -84.19 90.33 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -87.11 149.0 24.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -138.98 145.49 39.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 50' ' ' VAL . 1.4 mtt-85 -123.96 145.15 49.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.46 HG21 ' CZ ' ' A' ' 97' ' ' PHE . 5.6 m -145.81 124.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.887 HD13 ' N ' ' A' ' 66' ' ' VAL . 1.9 tm? -112.52 139.47 48.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.887 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.2 t -137.74 126.3 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.62 120.06 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.16 162.42 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.28 -15.75 56.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.459 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -30.0 39.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.832 0.349 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.58 ' HE1' HD22 ' A' ' 43' ' ' LEU . 18.5 m-85 -75.1 -31.34 61.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.506 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.7 OUTLIER -61.41 -35.53 77.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.55 -30.08 73.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -110.65 154.46 43.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.678 0.275 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.02 -174.42 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.622 2.215 . . . . 0.0 112.2 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.425 HD21 ' CE1' ' A' ' 80' ' ' HIS . 7.0 tt -74.28 -35.35 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -73.64 -30.83 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -74.87 -53.62 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -59.04 -36.51 75.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.425 ' CE1' HD21 ' A' ' 76' ' ' LEU . 8.9 m170 -69.18 -36.53 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -74.92 -32.28 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.795 ' HB3' HD21 ' A' ' 43' ' ' LEU . 10.0 mt -59.0 -46.46 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.587 HG22 HD11 ' A' ' 43' ' ' LEU . 27.3 t -65.1 -46.73 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -65.92 -43.55 87.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.2 -34.48 72.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.23 -59.99 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.971 HD13 HD22 ' A' ' 35' ' ' LEU . 8.7 mt -97.13 42.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.37 96.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.207 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -75.12 -38.14 61.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.442 ' HB3' HD11 ' A' ' 30' ' ' LEU . 1.7 mp0 -75.23 -29.88 60.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.443 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.2 mt -48.17 -58.42 8.04 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.462 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.6 Cg_exo -44.82 -33.31 7.12 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.562 2.175 . . . . 0.0 112.522 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -75.05 -31.41 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.843 HD11 HD12 ' A' ' 30' ' ' LEU . 23.2 mm -74.08 118.32 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.415 ' CD2' ' HA ' ' A' ' 59' ' ' ALA . 6.9 t60 -66.44 -31.85 72.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.719 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' A' ' 61' ' ' SER . . . -152.01 118.07 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.46 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 44.6 t80 -125.03 144.9 50.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.062 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -146.87 120.06 8.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -108.81 150.95 26.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -141.39 119.99 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.736 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 74.2 p -113.48 135.96 53.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.616 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 7.3 mt -149.97 148.58 29.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.506 HG22 ' HG2' ' A' ' 72' ' ' GLU . 30.3 p -79.91 149.86 71.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.49 -42.08 63.71 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.557 2.171 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.94 -31.51 69.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -74.99 -52.89 9.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.616 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.2 t-105 -59.8 -35.61 75.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 68.5 m -60.09 -32.39 70.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -90.4 -29.46 18.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.31 -11.69 61.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ptt85 -115.89 36.84 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -60.07 165.62 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.007 179.897 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 ttm . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.761 0.315 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -121.29 152.36 39.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.02 119.61 1.4 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.2 -59.21 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -168.24 120.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -111.9 80.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -83.25 -33.46 26.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 t60 60.28 98.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -160.74 97.47 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.82 -171.74 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.34 -49.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.72 36.08 19.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -131.32 137.25 48.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.68 -106.6 0.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.29 34.29 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 111.075 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.1 p -154.55 -46.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -118.88 142.78 47.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.3 m -130.07 150.04 74.88 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.96 -168.08 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.592 2.194 . . . . 0.0 112.337 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -71.97 86.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.89 -177.58 40.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.544 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.3 t -102.69 -67.77 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -135.14 31.12 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.75 131.7 7.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.425 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.37 -57.11 4.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.93 -162.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 27' ' ' THR . 22.2 m 61.4 19.49 10.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.875 0.369 . . . . 0.0 110.505 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.38 -32.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.676 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -117.01 151.39 36.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.642 HD23 HD11 ' A' ' 94' ' ' ILE . 9.1 mp 60.1 109.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -124.09 164.79 18.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -62.55 -57.86 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -30.57 70.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -59.64 -54.15 49.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.705 ' CD2' HD22 ' A' ' 87' ' ' LEU . 22.6 mt -69.29 -31.34 69.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.563 ' HD3' HG12 ' A' ' 50' ' ' VAL . 11.2 ttp180 -70.72 -51.72 25.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -63.3 -35.76 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -60.06 -59.97 4.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.64 -30.78 71.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -59.74 -54.69 43.33 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -29.94 60.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.123 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.47 -52.89 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.683 HD13 ' CE1' ' A' ' 71' ' ' PHE . 62.3 mt -99.26 -11.77 20.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.35 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 61.8 65.18 0.94 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.906 0.384 . . . . 0.0 110.82 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.4 ' CB ' HG13 ' A' ' 66' ' ' VAL . . . -83.81 168.9 15.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -85.99 -60.44 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -124.89 131.29 53.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 66' ' ' VAL . 20.7 m -137.17 143.67 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -137.98 128.54 26.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.563 HG12 ' HD3' ' A' ' 36' ' ' ARG . 11.1 p -116.3 147.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -138.78 161.82 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -150.0 146.32 26.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 p -91.38 -59.34 2.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.468 HG21 ' HG3' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -144.36 165.77 26.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.2 mt -129.17 -45.65 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -88.07 54.78 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.468 ' HG3' HG21 ' A' ' 54' ' ' THR . 4.6 mmp_? -149.17 165.77 30.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.0 m -65.02 -46.72 80.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.4 107.13 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.431 HG22 ' CE2' ' A' ' 62' ' ' PHE . 68.2 m -109.35 109.9 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.27 153.1 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.526 ' HD2' HG23 ' A' ' 94' ' ' ILE . 36.1 m-85 -143.31 153.7 43.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 50' ' ' VAL . 21.4 mtp180 -137.13 132.66 34.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 98' ' ' GLU . 6.3 m -129.89 130.87 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -120.6 134.63 55.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.726 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.726 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.5 t -139.75 142.7 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.8 t -146.87 120.02 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.983 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.52 177.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.985 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.81 -18.15 31.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.361 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -52.91 -31.91 42.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.868 0.366 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.683 ' CE1' HD13 ' A' ' 43' ' ' LEU . 11.9 m-85 -75.03 -31.71 61.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.428 ' HG2' HG22 ' A' ' 103' ' ' THR . 4.0 mm-40 -60.37 -31.08 69.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.64 -35.2 88.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -113.38 159.11 36.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.299 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.22 -167.48 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.574 2.182 . . . . 0.0 112.298 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.501 HD12 ' HD2' ' A' ' 79' ' ' ARG . 5.8 tp -80.84 -30.76 35.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.667 HD12 HE22 ' A' ' 78' ' ' GLN . 0.3 OUTLIER -75.01 -32.93 61.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.667 HE22 HD12 ' A' ' 77' ' ' LEU . 1.5 mp0 -75.03 -47.68 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 83' ' ' VAL . 17.0 ptp180 -58.53 -45.92 87.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -65.14 -35.45 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -70.1 -41.87 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.07 -31.67 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 79' ' ' ARG . 21.5 t -67.4 -58.51 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -33.75 76.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.12 -37.93 72.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -56.55 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.705 HD22 ' CD2' ' A' ' 35' ' ' LEU . 3.6 mt -101.21 41.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.55 89.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -75.12 -39.19 60.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -29.95 60.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.394 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.423 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -47.22 -58.33 7.49 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.572 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.423 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.8 Cg_exo -44.95 -32.77 6.77 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.64 2.227 . . . . 0.0 112.595 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -75.03 -31.22 61.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.642 HD11 HD23 ' A' ' 30' ' ' LEU . 23.5 mm -74.3 118.26 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -66.01 -31.68 72.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -153.39 117.25 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.469 ' HE2' HD13 ' A' ' 35' ' ' LEU . 18.3 t80 -125.2 140.7 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.98 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 64' ' ' VAL . 1.9 tp10 -127.33 125.57 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.763 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -117.82 120.96 39.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.455 ' HB3' HD22 ' A' ' 65' ' ' LEU . 3.0 tmtm? -129.59 119.97 24.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.806 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.413 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 22.1 p -123.28 141.63 51.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.524 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 2.0 mt -149.93 171.51 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.428 HG22 ' HG2' ' A' ' 72' ' ' GLU . 18.0 p -91.25 150.67 41.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.94 -45.51 40.46 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.549 2.166 . . . . 0.0 112.276 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.93 -46.35 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.15 -52.35 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.524 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -60.97 -47.05 88.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.2 m -64.42 -38.39 90.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -77.49 -28.53 52.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -68.7 -12.88 61.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.408 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -125.11 64.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 57.59 168.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.881 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.874 0.368 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -60.34 -74.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.45 97.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.35 -47.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 m -80.09 147.34 31.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.36 171.71 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -74.77 86.15 2.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -129.78 31.25 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -176.74 140.21 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -133.84 116.74 16.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -99.01 31.45 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -109.53 -66.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -176.53 -43.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.42 -130.9 10.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.88 -37.24 16.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.364 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.37 161.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 mt -84.87 135.54 34.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t 59.72 80.41 0.27 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.38 -45.76 1.16 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.572 2.181 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 60.16 176.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.79 -143.7 9.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.455 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -60.34 -175.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.8 -66.31 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.18 -59.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.96 91.56 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.076 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.46 27.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -31.12 69.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -110.04 -24.07 10.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.958 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 64.2 132.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.542 ' HG ' HD11 ' A' ' 94' ' ' ILE . 4.1 mm? -43.83 155.08 0.08 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.642 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.9 m -127.54 149.34 50.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' O ' HG11 ' A' ' 50' ' ' VAL . . . -68.04 -35.41 78.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.98 -31.3 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -60.08 -50.69 72.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.765 HD22 HD13 ' A' ' 87' ' ' LEU . 19.6 mt -71.38 -30.95 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -69.51 -52.65 24.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.61 -31.23 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -68.37 -60.02 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.28 -44.42 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.518 ' HB2' HG21 ' A' ' 48' ' ' VAL . 15.1 ttt-85 -58.1 -46.05 86.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -75.31 -40.44 58.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.89 -60.0 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.646 HD22 ' CE1' ' A' ' 71' ' ' PHE . 4.9 mt -72.39 -22.84 61.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.21 72.52 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.739 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.98 169.68 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -78.16 -59.94 2.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -135.1 130.03 34.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.518 HG21 ' HB2' ' A' ' 40' ' ' ARG . 31.2 m -125.9 147.93 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -137.07 119.98 16.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.439 HG11 ' O ' ' A' ' 32' ' ' ALA . 12.7 p -107.97 155.85 8.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' N ' HG22 ' A' ' 50' ' ' VAL . 4.8 tp10 -135.55 162.82 31.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -150.0 136.8 19.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.5 p -121.26 81.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 54' ' ' THR . 8.1 t -70.31 84.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mt 60.82 31.35 20.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -94.03 -44.18 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -166.23 136.21 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 55.6 m 60.08 36.73 21.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.47 -170.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.052 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.1 p -70.49 108.82 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.7 p -130.09 163.17 27.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -138.76 125.88 21.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -109.72 120.02 41.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.6 m -110.48 129.97 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.203 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.661 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -120.29 138.82 53.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.661 ' N ' HD13 ' A' ' 65' ' ' LEU . 20.0 t -140.78 128.67 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.2 t -128.13 119.98 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.61 -176.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.01 -20.2 16.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.384 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -30.94 56.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.985 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.646 ' CE1' HD22 ' A' ' 43' ' ' LEU . 2.7 m-85 -75.06 -30.74 61.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.626 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.3 OUTLIER -61.48 -34.1 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.1 -30.02 76.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.819 ' HD2' HD11 ' A' ' 82' ' ' LEU . 25.3 mttm -100.47 155.39 36.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.705 0.288 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.4 163.93 30.37 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.62 2.213 . . . . 0.0 112.237 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.01 -30.84 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -31.46 61.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -75.02 -31.02 61.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.9 mtm-85 -59.8 -58.09 10.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -62.15 -45.99 90.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -60.51 -33.5 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.819 HD11 ' HD2' ' A' ' 74' ' ' LYS . 11.1 mt -60.71 -42.04 96.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.5 t -75.05 -33.14 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -71.38 -38.38 71.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.27 -43.67 98.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.977 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -59.37 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.765 HD13 HD22 ' A' ' 35' ' ' LEU . 9.4 mt -97.78 38.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.27 76.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.12 -34.14 61.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.29 -29.89 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.309 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.422 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.1 mt -49.71 -58.07 10.34 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.559 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.1 Cg_exo -44.95 -31.58 5.53 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.56 2.173 . . . . 0.0 112.655 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -75.01 -31.62 61.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.542 HD11 ' HG ' ' A' ' 30' ' ' LEU . 23.2 mm -74.67 116.43 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.16 -34.36 73.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.77 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 116.89 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.952 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.57 ' HE1' HD13 ' A' ' 35' ' ' LEU . 32.4 t80 -120.91 143.06 49.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.977 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.53 119.95 13.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.814 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -118.3 144.8 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.32 119.95 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.2 p -112.92 137.1 51.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.466 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 1.7 mt -149.92 173.34 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.626 HG22 ' HG2' ' A' ' 72' ' ' GLU . 60.9 p -93.01 154.34 41.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 103' ' ' THR . 36.5 Cg_endo -65.54 -29.97 52.35 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.57 2.18 . . . . 0.0 112.212 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.45 -36.23 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -75.13 -45.98 37.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.65 ' CH2' HD11 ' A' ' 65' ' ' LEU . 2.3 t-105 -61.11 -52.41 65.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.9 m -60.04 -29.3 68.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -87.25 -25.51 23.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -66.63 -14.42 62.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.413 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -110.51 33.5 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -103.2 119.49 38.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -39.68 8.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.981 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -105.17 163.74 14.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.59 -50.17 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.763 0.316 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -100.43 82.18 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -147.21 160.7 42.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -162.36 119.12 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -97.72 178.04 5.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.5 m170 60.3 95.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -98.87 35.8 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -126.62 35.26 4.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.29 -32.13 13.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -64.65 162.19 16.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.71 39.6 2.16 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.577 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.95 112.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -127.89 36.31 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 17' ' ' LEU . 7.9 tp 60.81 35.4 19.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.439 HG23 ' HD2' ' A' ' 19' ' ' PRO . 10.3 p -176.26 136.42 0.46 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HD2' HG23 ' A' ' 18' ' ' VAL . 56.1 Cg_endo -70.3 143.98 49.79 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.432 2.088 . . . . 0.0 112.342 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -136.83 -67.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.24 28.15 7.73 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m 61.76 152.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.01 -31.43 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.59 79.24 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.84 140.3 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 111.067 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.18 27.91 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.212 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -30.9 67.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.987 0.422 . . . . 0.0 110.746 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.28 -26.33 9.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -95.18 78.43 3.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.701 HD23 HD11 ' A' ' 94' ' ' ILE . 9.6 mp -43.5 125.92 4.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.587 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -130.26 156.67 44.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.06 97.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -31.3 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -62.09 -51.15 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.791 HD22 HD13 ' A' ' 87' ' ' LEU . 47.1 mt -68.73 -31.31 70.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' NE ' HG23 ' A' ' 48' ' ' VAL . 14.8 ttp180 -73.96 -51.09 17.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.14 -41.08 91.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -60.3 -53.21 60.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.39 -42.71 99.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -59.89 -46.45 89.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -75.26 -46.7 31.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.44 -48.87 79.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.587 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 13.1 mt -83.58 -24.74 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 64.83 47.27 2.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.23 -175.8 4.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.049 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -96.32 -53.46 3.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -135.51 132.59 37.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.427 HG23 ' NE ' ' A' ' 36' ' ' ARG . 15.0 m -129.35 152.34 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -140.46 125.46 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.3 p -114.0 157.38 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 50' ' ' VAL . 4.6 tp10 -138.25 164.81 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -150.0 131.78 15.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.818 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.4 p -97.2 -73.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 58' ' ' CYS . 6.0 m 61.8 115.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.8 mt -59.83 -48.27 82.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -137.99 -74.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -120.65 -60.14 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.539 ' O ' HG23 ' A' ' 54' ' ' THR . 62.9 m -60.39 135.42 57.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.485 ' HB1' ' CE2' ' A' ' 62' ' ' PHE . . . -62.37 161.5 11.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.9 p -142.92 -64.66 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 76.5 p -122.45 160.36 25.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.485 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 57.2 m-85 -149.99 131.4 14.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -103.2 135.9 43.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -131.32 133.15 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.759 HD13 ' N ' ' A' ' 66' ' ' VAL . 3.1 tm? -131.2 137.75 49.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.79 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.759 ' N ' HD13 ' A' ' 65' ' ' LEU . 19.4 t -131.63 135.1 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -130.58 122.44 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 t -175.12 -179.74 1.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.016 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.12 -18.73 17.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.361 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -29.96 59.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.827 0.346 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.587 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 50.0 m-85 -75.13 -30.85 60.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.42 -31.25 69.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.27 -29.94 73.4 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.568 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' CD ' HD11 ' A' ' 82' ' ' LEU . 6.0 mttp -104.63 154.29 38.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.67 0.271 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.9 160.48 33.26 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.571 2.181 . . . . 0.0 112.227 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.83 -36.63 72.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -33.63 76.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -75.0 -30.09 61.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.617 ' HB3' HG21 ' A' ' 101' ' ' THR . 84.2 mtt180 -58.95 -56.93 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -63.99 -44.68 91.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -59.68 -39.16 83.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.416 HD11 ' CD ' ' A' ' 74' ' ' LYS . 4.5 mt -60.52 -46.64 89.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.575 HG21 HE21 ' A' ' 99' ' ' GLN . 21.5 t -59.46 -40.14 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.171 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -65.53 -31.19 72.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -66.76 -37.36 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.23 -60.09 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.791 HD13 HD22 ' A' ' 35' ' ' LEU . 9.3 mt -102.85 44.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.71 -48.77 75.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -75.04 -34.33 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.145 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -75.19 -30.0 60.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.37 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.417 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -50.2 -58.0 11.04 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.501 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.9 Cg_exo -45.02 -32.24 6.37 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.527 2.152 . . . . 0.0 112.544 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -75.06 -31.89 61.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.701 HD11 HD23 ' A' ' 30' ' ' LEU . 22.1 mm -74.58 116.73 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -60.56 -33.83 73.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.974 0.416 . . . . 0.0 110.641 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.71 116.5 5.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.862 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -122.25 142.53 50.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.053 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -143.35 119.92 11.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.575 HE21 HG21 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -123.36 149.75 44.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.02 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -142.73 145.3 33.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.617 HG21 ' HB3' ' A' ' 79' ' ' ARG . 32.0 p -124.31 133.34 53.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.434 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 1.8 mt -149.84 159.87 44.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.753 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.52 161.25 65.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.4 -40.87 5.31 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.53 2.154 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -60.28 -34.81 74.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -74.73 -51.02 15.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.434 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 3.1 t-105 -60.37 -50.67 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.0 m -58.55 -30.35 67.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -82.36 -31.24 29.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.5 41.69 1.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.37 64.32 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.86 31.94 21.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.872 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.864 0.364 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.98 -57.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -104.88 65.55 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.528 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.31 -65.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -69.14 144.11 53.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 60.42 97.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.99 36.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -130.0 36.92 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -67.58 -47.34 70.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -91.43 130.31 37.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -109.66 -30.48 7.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.76 114.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m 61.23 155.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.43 27.5 2.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.548 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.52 -178.09 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 t -174.01 153.9 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.23 94.03 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.47 91.51 40.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.68 166.05 27.38 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.549 2.166 . . . . 0.0 112.282 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -111.55 173.46 6.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.16 -44.22 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -84.22 80.69 9.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.31 37.17 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.13 157.44 11.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.69 -179.08 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 111.081 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.15 28.12 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -30.7 67.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.637 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.6 mtp -110.22 -27.05 9.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -82.67 156.85 23.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -43.85 156.67 0.06 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.491 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.62 147.13 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.84 -42.56 85.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.175 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -30.64 70.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -59.34 -55.73 31.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.895 HD22 HD22 ' A' ' 87' ' ' LEU . 34.2 mt -64.87 -31.54 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -66.92 -58.7 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -59.1 -31.03 68.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -60.55 -59.32 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.857 HD22 HG13 ' A' ' 83' ' ' VAL . 3.8 mt -67.49 -31.43 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -55.86 28.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -32.8 61.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.08 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.16 -53.76 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.535 HD13 ' CE1' ' A' ' 71' ' ' PHE . 6.5 mt -89.33 -16.72 30.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 63.17 77.98 0.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.908 0.385 . . . . 0.0 110.779 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.11 174.04 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.074 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -86.57 -58.39 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -132.16 127.43 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.696 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.3 m -128.91 143.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.07 144.52 51.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.7 p -126.23 156.03 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' N ' HG22 ' A' ' 50' ' ' VAL . 2.7 mm-40 -132.37 172.77 12.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -150.08 129.58 13.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.769 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.8 p -144.82 102.58 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.659 HG21 HG23 ' A' ' 60' ' ' THR . 5.9 t -144.81 168.61 19.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -130.24 17.16 5.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 t30 55.33 101.5 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.744 0.306 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -164.54 -76.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -109.31 -66.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.67 ' HB3' ' HB2' ' A' ' 95' ' ' HIS . . . -129.14 -175.79 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.659 HG23 HG21 ' A' ' 54' ' ' THR . 1.6 m -122.35 142.8 50.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.624 ' OG ' ' HB3' ' A' ' 96' ' ' ALA . 67.1 m -108.27 150.68 26.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -150.01 152.2 34.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -118.76 127.05 53.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.438 ' CG2' ' CZ ' ' A' ' 97' ' ' PHE . 31.3 m -103.7 137.7 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.343 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.8 tm? -132.62 132.64 42.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.745 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.7 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.6 t -138.2 144.29 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.8 t -135.43 119.9 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.029 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.79 -175.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -96.92 0.62 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.529 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -59.46 -42.17 91.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CE1' HD13 ' A' ' 43' ' ' LEU . 41.1 m-85 -75.01 -30.74 61.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HG2' HG22 ' A' ' 103' ' ' THR . 2.4 mm-40 -59.54 -45.23 92.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.37 93.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -90.49 156.7 45.3 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.813 0.339 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 179.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.571 2.181 . . . . 0.0 112.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -77.57 -44.23 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.596 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -75.1 -30.95 61.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -62.38 -48.71 78.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 83' ' ' VAL . 5.5 ptp180 -59.51 -38.98 82.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -70.29 -39.95 74.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -73.22 -32.52 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 82' ' ' LEU . 11.0 mt -59.29 -44.82 92.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.857 HG13 HD22 ' A' ' 39' ' ' LEU . 25.7 t -64.52 -45.59 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -65.61 -39.08 91.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.9 -36.6 77.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.1 t -61.23 -56.82 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.895 HD22 HD22 ' A' ' 35' ' ' LEU . 4.3 mt -97.34 39.67 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.88 95.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.214 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.14 -37.83 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.27 -29.91 60.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.431 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.423 ' CB ' ' HD3' ' A' ' 92' ' ' PRO . 6.2 mt -48.5 -58.11 9.1 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.603 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.423 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.0 Cg_exo -44.94 -32.96 6.94 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.569 2.18 . . . . 0.0 112.589 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -75.01 -30.87 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.43 127.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.67 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 31.2 t60 -67.72 -37.03 81.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.399 . . . . 0.0 110.612 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.624 ' HB3' ' OG ' ' A' ' 61' ' ' SER . . . -152.32 117.11 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.438 ' CZ ' ' CG2' ' A' ' 64' ' ' VAL . 33.1 t80 -121.02 135.24 55.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.017 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -124.07 136.03 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.801 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -119.36 121.39 39.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.64 ' O ' HD22 ' A' ' 65' ' ' LEU . 13.9 tptt -133.84 120.98 21.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.859 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 20.1 p -119.04 148.95 42.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.763 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 9.8 mt -150.07 152.53 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.471 HG22 ' HG2' ' A' ' 72' ' ' GLU . 73.0 p -77.67 152.78 80.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.38 -45.28 40.7 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.528 2.152 . . . . 0.0 112.313 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.93 -40.65 89.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -61.71 -52.34 64.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.763 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.5 t-105 -63.13 -49.42 74.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 m -58.96 -31.87 69.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -71.6 -31.72 67.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -106.96 52.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -97.55 41.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 62.56 80.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.855 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 mmm . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.815 0.34 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.3 36.62 20.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -177.64 -47.22 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.1 t -137.21 141.45 42.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -151.43 127.12 10.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -127.66 32.64 4.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.45 ' CE1' ' CE1' ' A' ' 9' ' ' HIS . 3.9 t-80 -154.38 135.33 13.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -97.67 110.33 22.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.45 ' CE1' ' CE1' ' A' ' 7' ' ' HIS . 4.0 m170 -141.43 151.94 43.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -164.82 156.06 14.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -105.88 -45.49 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.68 79.81 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.811 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.73 -45.5 1.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.41 -167.78 39.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.46 -30.92 7.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.902 0.382 . . . . 0.0 111.185 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.22 -169.6 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tp 60.74 28.26 18.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.489 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 4.2 t -84.88 -46.21 0.67 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.435 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 18' ' ' VAL . 51.2 Cg_exo -54.08 105.52 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.28 1.987 . . . . 0.0 112.327 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -122.35 115.84 23.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.49 93.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -106.9 176.29 5.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 60.57 80.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.19 67.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.59 127.23 31.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.2 28.64 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.74 -30.6 71.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.705 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.8 mtp -112.92 -18.77 12.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.246 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 49.04 95.18 0.01 OUTLIER 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.889 0.376 . . . . 0.0 111.267 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.646 HD23 HD11 ' A' ' 94' ' ' ILE . 10.1 mp 61.34 152.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 t -176.66 158.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.68 88.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -31.84 73.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -67.27 -55.49 13.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.819 HD22 HD13 ' A' ' 87' ' ' LEU . 39.4 mt -64.84 -30.86 71.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -69.36 -60.03 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -59.89 -31.16 69.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.68 ' HE2' HD23 ' A' ' 87' ' ' LEU . 21.2 tttt -64.73 -60.12 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.68 ' HB3' HD12 ' A' ' 43' ' ' LEU . 55.7 mt -58.91 -31.52 68.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -60.87 -60.07 4.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -75.19 -39.66 59.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.058 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -59.01 -52.93 63.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' ' 39' ' ' LEU . 7.1 mt -87.44 -18.92 28.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 64.37 79.85 0.25 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.836 0.35 . . . . 0.0 110.829 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.57 161.57 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.47 -44.98 41.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -148.16 138.95 23.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.629 HG12 ' HA ' ' A' ' 66' ' ' VAL . 30.9 m -136.12 156.51 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -140.0 120.05 13.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.817 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -107.1 148.01 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.14 158.98 43.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -150.01 119.99 7.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.791 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.9 p -72.76 -30.53 64.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.27 -69.76 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.9 mt 68.99 -66.15 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 t30 63.16 36.48 12.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -120.28 -51.35 2.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 28.0 p -176.88 37.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -175.35 166.96 3.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 p -146.19 109.5 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 96' ' ' ALA . 1.3 m -108.09 160.88 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -149.99 164.04 36.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -143.25 133.35 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.417 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 31.0 m -124.24 130.83 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.843 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.1 tm? -123.49 138.38 54.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.843 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.3 t -140.01 137.78 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.8 t -137.29 120.0 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.06 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.42 175.28 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.039 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.02 -21.44 21.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.332 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -30.24 52.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.544 ' HE2' HG11 ' A' ' 66' ' ' VAL . 11.3 m-85 -75.09 -30.73 60.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.492 ' HG2' HG22 ' A' ' 103' ' ' THR . 2.8 mm-40 -61.47 -39.38 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.08 -52.25 53.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.666 ' HD3' HD11 ' A' ' 82' ' ' LEU . 20.8 mttt -74.37 155.64 87.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.64 0.257 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.72 167.21 21.75 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.584 2.189 . . . . 0.0 112.219 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.8 tp -59.21 -42.33 90.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.468 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -62.28 -31.07 71.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.877 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -74.83 -35.75 62.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -60.29 -53.49 57.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -64.86 -36.22 83.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -73.73 -32.06 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.666 HD11 ' HD3' ' A' ' 74' ' ' LYS . 10.9 mt -60.17 -40.42 89.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.7 t -74.94 -35.43 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -72.33 -45.89 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -61.07 -34.36 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.9 t -60.29 -57.81 11.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.819 HD13 HD22 ' A' ' 35' ' ' LEU . 9.8 mt -103.62 47.62 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.784 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.58 94.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.215 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.16 -38.57 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.043 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -75.23 -29.95 60.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.453 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.6 mt -47.79 -58.51 7.52 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.533 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.429 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.9 Cg_exo -44.88 -33.26 7.19 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.583 2.188 . . . . 0.0 112.589 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -74.89 -31.64 61.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.646 HD11 HD23 ' A' ' 30' ' ' LEU . 26.6 mm -73.62 110.54 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -60.44 -33.2 72.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.732 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.4 ' HB3' ' CB ' ' A' ' 61' ' ' SER . . . -149.44 116.63 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.907 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.417 ' HZ ' HG11 ' A' ' 64' ' ' VAL . 26.5 t80 -116.2 137.2 52.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -132.14 120.0 21.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.773 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.84 148.4 42.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 119.98 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.7 p -105.12 140.92 37.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.993 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.55 HD22 ' CB ' ' A' ' 106' ' ' GLN . 3.9 mt -150.01 156.89 42.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.492 HG22 ' HG2' ' A' ' 72' ' ' GLU . 24.0 p -87.24 153.73 54.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.6 -45.79 37.79 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.605 2.203 . . . . 0.0 112.318 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.94 -31.99 70.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.55 ' CB ' HD22 ' A' ' 102' ' ' LEU . 10.0 mm-40 -72.11 -43.31 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.461 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.2 t-105 -75.0 -43.01 56.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.037 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.2 m -57.65 -54.22 49.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -31.14 71.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.62 31.27 2.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.81 33.3 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.06 102.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.928 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 mmt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.77 0.319 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.79 31.04 20.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.97 -40.46 0.45 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 m -64.0 169.34 4.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -92.65 166.09 12.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -175.64 -57.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -86.65 139.77 30.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -125.07 87.9 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -114.86 82.76 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -99.12 35.41 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -60.25 -57.51 12.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 p -113.28 32.77 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -147.05 31.22 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.93 91.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.564 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.38 -48.92 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.9 p -76.36 79.48 3.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.559 HD12 ' HE ' ' A' ' 20' ' ' ARG . 5.4 tp -149.48 29.37 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.485 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 5.5 t -84.61 -46.02 0.7 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.483 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 18' ' ' VAL . 62.3 Cg_exo -51.51 -61.4 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.268 1.978 . . . . 0.0 112.354 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.559 ' HE ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -74.81 121.71 22.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.89 88.25 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.85 141.63 29.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.726 0.298 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -87.57 163.33 16.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.78 -173.84 18.77 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.432 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.29 -45.79 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 111.093 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.43 29.13 5.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -30.66 68.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.586 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 ttt -110.23 -26.68 9.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.932 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -60.6 102.77 0.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 30' ' ' LEU . 9.6 mp 59.93 109.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.27 165.57 23.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' HG21 ' A' ' 50' ' ' VAL . . . -59.68 -44.6 93.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.23 -32.04 73.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -60.62 -53.48 57.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.625 HD13 ' HE2' ' A' ' 97' ' ' PHE . 23.9 mt -71.14 -30.57 66.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HD2' HG12 ' A' ' 50' ' ' VAL . 5.7 ttt180 -67.38 -59.96 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.91 -31.98 71.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.486 ' HD3' HD21 ' A' ' 87' ' ' LEU . 24.5 tttp -67.38 -55.77 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.12 -43.88 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -58.78 -48.53 80.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -75.24 -45.86 37.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.409 ' CG ' ' HG ' ' A' ' 86' ' ' CYS . 24.0 t70 -59.51 -60.01 4.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.494 HD13 ' HZ ' ' A' ' 71' ' ' PHE . 40.2 mt -72.52 -24.2 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 64.4 76.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.15 174.92 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -88.71 -57.85 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -131.26 131.0 43.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.713 HG12 ' HA ' ' A' ' 66' ' ' VAL . 30.6 m -133.62 162.32 39.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.03 120.01 7.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 32' ' ' ALA . 11.3 p -107.23 156.02 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' N ' HG22 ' A' ' 50' ' ' VAL . 9.0 tp10 -143.33 159.98 41.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -150.11 138.58 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.764 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.7 p -106.07 75.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.795 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m 60.24 159.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.1 mt -125.64 65.74 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -108.67 -173.45 2.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.9 mmm-85 -100.21 36.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 64.2 m -126.82 -49.17 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -145.73 144.82 30.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 95' ' ' HIS . 2.1 t -148.51 104.64 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.99 126.63 43.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -114.48 144.48 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -133.28 121.59 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.778 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.463 HG22 ' CE1' ' A' ' 97' ' ' PHE . 29.8 m -119.33 139.7 45.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.729 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -120.59 136.03 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.729 ' N ' HD13 ' A' ' 65' ' ' LEU . 18.1 t -133.95 137.31 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.212 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.0 t -141.92 119.91 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.22 177.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.81 -18.13 24.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.399 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -32.39 57.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.841 0.353 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.494 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 2.7 m-85 -75.07 -30.86 61.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HG2' HG22 ' A' ' 103' ' ' THR . 2.8 mm-40 -60.01 -32.02 70.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.71 96.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.425 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.708 ' HD2' HD11 ' A' ' 82' ' ' LEU . 86.6 mttt -91.45 160.14 37.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.659 0.266 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.55 167.85 17.94 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.541 2.161 . . . . 0.0 112.241 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.18 -45.91 89.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.03 -30.96 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -75.07 -30.38 60.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -59.07 -57.79 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -62.68 -37.2 85.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -31.28 70.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.708 HD11 ' HD2' ' A' ' 74' ' ' LYS . 3.2 mt -62.15 -49.14 77.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 t -62.0 -32.43 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.624 ' HA ' HD11 ' A' ' 91' ' ' LEU . 38.8 m-20 -71.82 -40.89 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.75 -33.34 75.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.409 ' HG ' ' CG ' ' A' ' 42' ' ' ASP . 2.4 t -60.19 -59.99 4.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.611 HD13 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -108.14 45.68 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.69 -31.41 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -75.25 -49.05 20.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -75.3 -29.73 60.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.345 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' A' ' 84' ' ' ASN . 5.7 mt -44.77 -60.2 3.3 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 91' ' ' LEU . 7.9 Cg_endo -50.67 -29.86 26.93 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.424 2.083 . . . . 0.0 112.282 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -74.13 -29.96 62.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.79 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 24.6 mm -71.25 118.04 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.443 ' CB ' HG23 ' A' ' 60' ' ' THR . 3.3 t60 -65.05 -31.33 72.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -155.09 116.73 4.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.0 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.625 ' HE2' HD13 ' A' ' 35' ' ' LEU . 8.3 t80 -126.12 146.32 49.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.994 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.424 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 0.4 OUTLIER -139.87 120.02 13.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.777 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.3 136.4 53.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.423 ' HB2' HD22 ' A' ' 65' ' ' LEU . 6.1 mtmt -130.04 119.99 24.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.819 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.1 p -115.15 134.32 55.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.481 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 1.7 mt -149.97 167.37 26.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.471 HG22 ' HG2' ' A' ' 72' ' ' GLU . 81.5 p -87.13 154.82 55.03 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 103' ' ' THR . 36.2 Cg_endo -65.23 -30.83 54.52 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.52 2.147 . . . . 0.0 112.187 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.42 -34.79 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -74.95 -49.04 21.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.622 ' CH2' HD11 ' A' ' 65' ' ' LEU . 2.0 t-105 -59.54 -43.53 93.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.2 m -59.67 -30.69 68.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -71.98 -30.98 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.03 38.5 3.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.69 33.46 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -109.36 129.65 55.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.913 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.6 mtt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.783 0.325 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.85 32.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.91 125.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.537 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 p -101.26 177.51 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.336 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -103.14 79.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -99.17 31.5 3.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.06 149.39 45.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -128.81 153.38 47.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 60.34 92.19 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -100.8 -67.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -152.9 79.75 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.0 m -106.2 -32.48 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 p -107.75 136.16 47.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.21 -132.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.542 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.85 36.96 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.086 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.493 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -61.14 -53.97 50.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mt 60.27 35.82 20.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 16' ' ' SER . 21.4 t -129.59 88.34 50.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -51.98 145.34 33.37 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.621 2.214 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.32 -58.93 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 151.6 -162.37 29.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.9 m -151.1 -53.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.59 101.65 11.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.31 91.89 0.65 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -160.96 174.03 14.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.736 0.303 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.17 -162.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 27' ' ' THR . 22.0 m 61.26 19.49 10.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.96 0.41 . . . . 0.0 110.506 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttt 178.57 -33.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.778 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.99 104.57 0.31 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.873 HD12 HD11 ' A' ' 94' ' ' ILE . 4.1 mm? -43.73 141.52 1.51 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.515 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -154.03 155.31 35.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.49 ' O ' HG21 ' A' ' 50' ' ' VAL . . . -68.5 -56.8 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.93 -31.42 69.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.24 -58.0 10.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.101 HD22 HD13 ' A' ' 87' ' ' LEU . 36.5 mt -61.8 -31.08 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.611 ' NE ' HG23 ' A' ' 48' ' ' VAL . 5.1 ttp180 -71.29 -59.17 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.74 -30.83 69.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -69.96 -60.04 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.542 HD22 HG13 ' A' ' 83' ' ' VAL . 31.5 mt -61.07 -38.31 85.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -58.13 -51.42 69.79 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -75.33 -40.6 58.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.27 -60.04 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mt -76.82 -20.91 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 64.07 80.05 0.24 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.55 168.62 9.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.66 -56.4 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -132.25 132.28 42.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.611 HG23 ' NE ' ' A' ' 36' ' ' ARG . 15.9 m -126.67 145.77 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -139.35 120.02 14.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.813 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 32' ' ' ALA . 12.2 p -107.63 150.84 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -132.9 162.91 30.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' OD1' HG22 ' A' ' 54' ' ' THR . 24.8 t0 -150.04 140.47 22.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.794 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.448 ' O ' HG21 ' A' ' 60' ' ' THR . 28.6 p -121.71 83.67 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.546 ' HB ' HG21 ' A' ' 60' ' ' THR . 9.7 t -176.7 143.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 mt -85.69 -33.0 21.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -107.41 -177.19 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 -99.1 78.46 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.7 m -129.72 42.27 3.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.4 ' O ' ' CE2' ' A' ' 62' ' ' PHE . . . 64.16 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.546 HG21 ' HB ' ' A' ' 54' ' ' THR . 0.2 OUTLIER 59.15 -170.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.432 ' H ' HG22 ' A' ' 60' ' ' THR . 1.2 m -74.2 163.8 27.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' A' ' 59' ' ' ALA . 36.5 m-85 -150.03 151.11 32.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 ttp85 -123.91 128.99 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.418 HG21 ' CE1' ' A' ' 97' ' ' PHE . 13.3 m -120.42 130.09 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -122.88 139.42 54.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.785 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.5 t -143.16 132.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.1 t -132.3 119.99 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.005 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.92 172.68 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.83 -19.63 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.285 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.61 -31.04 56.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.058 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CD1' ' HB2' ' A' ' 79' ' ' ARG . 2.7 m-85 -74.96 -31.18 61.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -41.28 93.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.04 -30.08 66.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -104.0 155.38 37.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.701 0.286 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.49 -173.0 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.539 2.159 . . . . 0.0 112.261 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.689 ' O ' HD23 ' A' ' 76' ' ' LEU . 6.0 tt -79.3 -31.78 43.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.491 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -75.03 -31.56 61.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.01 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -72.71 -48.85 35.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 4.3 ptp180 -59.64 -38.7 82.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.482 ' CE1' HD21 ' A' ' 76' ' ' LEU . 17.2 m170 -69.97 -50.04 45.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -64.6 -31.11 72.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.2 -51.03 71.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.542 HG13 HD22 ' A' ' 39' ' ' LEU . 27.4 t -62.43 -36.2 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.33 -40.01 74.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -60.3 -38.18 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.14 -58.43 8.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.101 HD13 HD22 ' A' ' 35' ' ' LEU . 4.9 mt -103.82 54.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.62 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.192 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -75.04 -33.39 61.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.019 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.517 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -75.21 -29.9 60.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.345 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.1 mt -50.27 -58.5 9.51 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.492 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 83.1 Cg_exo -45.0 -32.14 6.2 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.566 2.177 . . . . 0.0 112.607 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -74.99 -31.75 61.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.873 HD11 HD12 ' A' ' 30' ' ' LEU . 24.7 mm -73.76 112.33 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -60.22 -36.41 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.718 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.4 116.69 5.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.507 ' HE2' HD13 ' A' ' 35' ' ' LEU . 24.3 t80 -115.71 144.44 43.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -145.16 120.02 9.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.09 154.84 34.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.64 124.58 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.0 p -113.98 136.05 53.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.657 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 5.2 mt -146.1 160.37 42.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.8 p -82.34 148.59 59.67 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.5 -43.1 57.25 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.577 2.185 . . . . 0.0 112.266 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.7 -45.38 92.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.448 ' CD ' HD22 ' A' ' 102' ' ' LEU . 49.2 mt-30 -60.29 -49.9 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.657 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -62.67 -30.02 71.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.0 m -58.0 -31.5 67.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.5 mmm-85 -63.74 -31.5 72.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -132.93 79.67 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -96.57 41.02 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -62.41 108.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.899 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.847 0.356 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -74.23 118.01 16.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.29 138.03 4.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.539 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.42 93.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.9 163.25 40.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.15 158.68 34.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -147.03 33.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -74.93 -68.91 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -167.89 179.48 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -152.53 111.06 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.3 m170 60.52 164.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.37 -48.26 4.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.6 p -154.7 124.15 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.43 125.0 7.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.561 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.18 125.01 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 76.7 p -128.85 173.1 10.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mt -109.41 -30.56 7.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -103.95 90.97 3.28 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.5 160.28 49.93 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.549 2.166 . . . . 0.0 112.231 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.8 87.82 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.61 130.01 5.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -128.54 31.75 4.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -131.27 -51.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.1 170.81 46.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -162.49 135.92 6.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.795 0.331 . . . . 0.0 111.153 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.4 -23.36 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.297 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.7 t -48.39 -34.07 10.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.03 0.443 . . . . 0.0 110.717 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.0 mtp -104.62 -23.93 13.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.914 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.83 119.95 20.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.823 0.344 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.436 HD21 ' CB ' ' A' ' 93' ' ' HIS . 10.1 mp 59.91 105.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m -135.33 158.38 44.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.99 -55.57 33.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.48 -30.0 70.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.025 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -58.92 -49.51 77.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.014 HD22 HD11 ' A' ' 87' ' ' LEU . 23.1 mt -71.39 -31.21 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.546 ' NE ' HG23 ' A' ' 48' ' ' VAL . 11.3 ttp180 -67.58 -56.29 10.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.28 -31.19 70.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.026 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -59.82 -59.96 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.68 HD21 HG13 ' A' ' 83' ' ' VAL . 76.8 mt -62.2 -30.04 70.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -58.98 5.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.331 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.23 -29.97 60.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.189 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.92 -49.51 75.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.03 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.505 HD13 ' CZ ' ' A' ' 71' ' ' PHE . 4.8 mt -114.13 9.5 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.424 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 52.5 95.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.768 0.318 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.553 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -115.15 154.33 29.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -81.94 -41.36 20.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -146.71 127.0 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 66' ' ' VAL . 31.3 m -128.74 155.41 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.06 133.06 16.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 51' ' ' GLU . 10.7 p -110.72 158.37 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 50' ' ' VAL . 17.1 tp10 -136.09 163.21 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.006 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -148.7 121.15 8.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.716 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.3 p -59.07 -42.25 89.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 t -177.41 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' HG ' ' CZ ' ' A' ' 62' ' ' PHE . 0.7 OUTLIER 70.97 124.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.056 0.455 . . . . 0.0 110.937 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -137.19 -169.55 2.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -95.0 -34.63 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 69.1 m -88.32 -45.76 9.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.62 169.01 9.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.9 p -157.07 169.73 24.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.25 136.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.413 ' CZ ' ' HG ' ' A' ' 55' ' ' LEU . 87.6 m-85 -150.09 149.59 30.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -123.51 119.97 31.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.613 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.535 ' HB ' HD12 ' A' ' 39' ' ' LEU . 30.5 m -101.17 124.77 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.278 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 66' ' ' VAL . 2.4 tm? -116.44 138.0 51.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.737 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.83 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.4 t -144.99 136.89 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.263 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.6 t -127.14 119.97 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.002 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -176.97 178.14 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -92.14 -17.5 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.44 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -33.19 26.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.785 0.326 . . . . 0.0 111.103 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.505 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 40.7 m-85 -75.06 -31.15 61.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.551 ' HG2' HG22 ' A' ' 103' ' ' THR . 3.8 mm-40 -62.97 -30.83 71.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.51 -49.46 37.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -85.61 148.04 48.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.679 0.276 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.63 -169.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.55 2.166 . . . . 0.0 112.332 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.694 ' O ' HD23 ' A' ' 76' ' ' LEU . 6.3 tt -83.01 -37.41 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 78' ' ' GLN . 4.1 pp -75.04 -30.57 61.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.996 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.408 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -71.6 -44.41 64.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -59.32 -40.13 85.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.838 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -71.79 -38.02 70.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 -69.28 -31.4 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.2 -49.71 73.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.68 HG13 HD21 ' A' ' 39' ' ' LEU . 21.9 t -59.92 -33.89 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 95.5 m-20 -70.93 -29.93 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.97 -60.07 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.0 p -63.15 -40.02 96.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.014 HD11 HD22 ' A' ' 35' ' ' LEU . 2.0 mm? -98.54 29.78 3.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 84' ' ' ASN . . . -71.61 -45.54 61.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.39 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.09 -38.0 61.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.08 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.657 ' HB2' HD13 ' A' ' 87' ' ' LEU . 1.4 mp0 -75.4 -30.0 59.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.413 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 91' ' ' LEU . 3.3 mt -48.19 -57.53 10.27 Favored Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.685 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 81.8 Cg_exo -44.7 -33.85 7.49 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.53 2.153 . . . . 0.0 112.579 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.436 ' CB ' HD21 ' A' ' 30' ' ' LEU . 67.0 m-70 -75.07 -31.0 61.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.704 HG21 ' HD1' ' A' ' 97' ' ' PHE . 22.4 mm -75.69 110.46 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.27 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -32.33 72.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.471 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -149.18 116.24 6.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.801 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.704 ' HD1' HG21 ' A' ' 94' ' ' ILE . 8.5 t80 -117.45 138.64 51.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.039 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.63 119.97 14.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.705 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -109.07 151.25 26.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -147.27 119.99 8.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.806 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 p -114.03 132.03 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.668 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 6.6 mt -141.4 145.62 35.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.551 HG22 ' HG2' ' A' ' 72' ' ' GLU . 64.7 p -74.68 154.34 87.35 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.17 -47.8 25.56 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.549 2.166 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.02 -41.05 86.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.69 -41.94 96.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.668 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 2.1 t-105 -73.57 -37.41 65.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.1 m -59.94 -30.99 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -88.41 -30.42 19.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -97.09 39.58 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.91 63.23 2.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.21 94.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.194 -0.907 . . . . 0.0 110.964 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttt . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.741 0.305 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -152.67 121.25 6.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.48 70.81 1.0 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.552 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m -61.72 123.0 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -104.74 -31.34 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 61.74 83.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.19 79.12 1.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -162.62 120.69 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -139.96 137.91 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -92.29 79.66 5.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -71.29 168.43 17.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.66 146.22 48.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.9 p -90.7 -57.03 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.61 72.03 0.68 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.96 73.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -103.99 39.99 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.1 tt 61.52 30.3 18.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t 58.18 94.45 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.82 129.29 19.44 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.445 2.096 . . . . 0.0 112.286 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 169.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.33 -109.79 0.35 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.43 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m 58.5 -178.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.336 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.59 101.34 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.77 -56.36 6.64 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.5 -169.43 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.23 24.88 5.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.278 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -61.4 -30.07 70.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.887 0.375 . . . . 0.0 110.657 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.42 -23.08 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.068 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -55.48 119.04 5.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -43.95 164.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.596 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m -161.75 147.46 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.36 -53.83 25.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.191 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -30.56 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -59.73 -55.04 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.969 HD22 HD13 ' A' ' 87' ' ' LEU . 40.6 mt -65.28 -31.28 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.403 ' HD3' HG12 ' A' ' 50' ' ' VAL . 11.9 ttp180 -68.09 -60.0 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.44 -40.48 96.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -60.04 -56.05 26.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.609 ' CD1' HG21 ' A' ' 64' ' ' VAL . 61.7 mt -60.17 -41.35 92.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.612 ' HB2' HG21 ' A' ' 48' ' ' VAL . 27.8 ttp180 -59.01 -45.25 91.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -75.32 -46.35 33.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.03 -49.74 76.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -80.9 -21.22 40.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 62.55 43.66 7.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.94 0.4 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.69 164.02 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.44 -61.15 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -130.31 147.75 52.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.612 HG21 ' HB2' ' A' ' 40' ' ' ARG . 30.8 m -145.83 159.73 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.195 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.01 129.2 12.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.491 HG22 ' N ' ' A' ' 51' ' ' GLU . 11.2 p -108.9 158.46 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' N ' HG22 ' A' ' 50' ' ' VAL . 18.3 tp10 -147.29 163.69 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -146.09 120.93 9.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.766 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.9 p -67.01 -73.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.6 m 62.41 148.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -108.52 -52.29 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -127.22 -45.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 -137.33 -57.94 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.7 m -151.21 119.34 6.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.34 23.8 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.359 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 55.6 -165.14 0.12 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 m 64.57 129.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -150.02 151.64 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.017 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -126.24 149.04 49.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.802 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.609 HG21 ' CD1' ' A' ' 39' ' ' LEU . 30.3 m -141.75 154.15 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.248 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -116.6 137.05 52.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.778 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.665 ' N ' HD13 ' A' ' 65' ' ' LEU . 19.3 t -133.19 125.76 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.416 HG23 HD12 ' A' ' 65' ' ' LEU . 21.8 t -133.52 119.96 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.92 165.09 3.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.35 -19.14 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.422 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -33.54 54.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.851 0.358 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' CD2' ' HB ' ' A' ' 101' ' ' THR . 2.7 m-85 -74.9 -30.9 61.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.986 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.765 ' HG2' HG22 ' A' ' 103' ' ' THR . 0.4 OUTLIER -61.01 -31.05 70.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.91 -34.08 76.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.482 ' HD2' HD11 ' A' ' 82' ' ' LEU . 68.1 mttm -101.3 152.85 38.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.676 0.274 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.52 170.29 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.579 2.186 . . . . 0.0 112.276 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.93 -49.77 66.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 78' ' ' GLN . 4.0 pp -64.71 -31.49 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.481 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.3 tp-100 -65.48 -30.03 70.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -59.25 -54.95 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -60.36 -35.85 76.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -40.15 92.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.482 HD11 ' HD2' ' A' ' 74' ' ' LYS . 11.6 mt -63.68 -46.17 86.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.73 -37.93 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -66.96 -35.43 79.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.15 -37.58 87.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.06 -60.0 4.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.969 HD13 HD22 ' A' ' 35' ' ' LEU . 8.4 mt -99.58 47.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.19 -53.11 61.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.2 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -75.07 -32.57 61.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.2 -29.87 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.386 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 91' ' ' LEU . 6.1 mt -51.41 -58.03 12.17 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.527 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.421 ' HD3' ' CB ' ' A' ' 91' ' ' LEU . 82.1 Cg_exo -44.96 -31.9 5.89 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.654 2.236 . . . . 0.0 112.541 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -74.98 -31.78 61.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.3 mm -74.99 117.12 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -63.36 -35.79 81.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.677 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.54 116.48 4.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.449 ' HE1' HD13 ' A' ' 35' ' ' LEU . 33.5 t80 -119.02 142.64 47.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.043 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -139.82 119.93 13.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.815 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -119.59 130.54 55.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.969 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.613 ' HB2' HD22 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -117.2 123.43 46.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.413 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 18.8 p -120.19 132.66 55.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.682 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 4.7 mt -144.94 165.91 26.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.765 HG22 ' HG2' ' A' ' 72' ' ' GLU . 16.7 p -79.56 147.6 67.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.19 -47.47 26.81 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.56 2.174 . . . . 0.0 112.262 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.91 -40.81 90.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.413 ' OE1' HD22 ' A' ' 102' ' ' LEU . 2.8 mt-30 -61.33 -55.01 36.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.682 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.9 t-105 -59.06 -34.46 71.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.2 m -60.03 -43.1 95.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -97.99 26.72 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -116.63 -9.18 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.383 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -131.79 71.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.9 -175.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.831 0.348 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 176.27 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.26 36.26 24.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.544 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 m 60.54 109.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -60.62 -65.32 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -73.13 98.64 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.95 157.54 18.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -176.63 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -59.93 127.19 30.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -149.05 84.2 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 60.52 34.12 20.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.67 -52.0 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 t -82.86 163.57 21.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.13 -52.1 0.96 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.72 92.52 3.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.794 0.331 . . . . 0.0 111.052 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.37 99.98 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 mt -133.32 56.09 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.79 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.6 t -114.0 88.4 14.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.81 160.22 3.03 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.55 2.167 . . . . 0.0 112.327 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.45 -176.43 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.13 -153.21 7.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 m -124.0 129.14 50.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.86 0.362 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -115.49 137.94 51.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.74 28.51 5.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.48 161.03 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.572 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -98.35 28.37 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -58.9 -30.72 68.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.59 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.2 tpp -109.79 -26.27 9.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.572 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 66.1 mt-10 -96.41 130.72 43.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -43.89 141.43 1.62 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.495 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.41 147.14 47.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.79 ' HB1' HG22 ' A' ' 50' ' ' VAL . . . -59.97 -45.04 93.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -60.7 -31.09 70.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -61.29 -48.45 81.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 87' ' ' LEU . 46.8 mt -68.25 -36.94 80.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HD3' HG12 ' A' ' 50' ' ' VAL . 36.9 ttp180 -69.18 -53.6 19.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.22 -30.71 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -63.8 -60.06 3.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.686 HD21 HD23 ' A' ' 87' ' ' LEU . 3.5 mt -66.84 -30.0 70.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD3' HG21 ' A' ' 48' ' ' VAL . 20.5 ttp85 -57.56 -55.48 34.26 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.24 -30.61 60.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.065 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -57.02 10.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.62 -14.73 39.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.265 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 61.22 59.37 1.98 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.013 0.435 . . . . 0.0 110.807 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.85 174.27 11.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.152 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -94.01 -52.5 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -125.48 134.49 52.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.454 HG21 ' HD3' ' A' ' 40' ' ' ARG . 31.5 m -131.79 145.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -143.44 124.82 14.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.79 HG22 ' HB1' ' A' ' 32' ' ' ALA . 11.5 p -127.04 145.69 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -144.26 165.09 28.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -139.46 127.2 21.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.743 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.4 p -98.25 35.51 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.613 ' HB ' HG23 ' A' ' 60' ' ' THR . 0.2 OUTLIER -161.75 175.87 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 mt -139.82 -50.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -72.84 156.95 38.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -70.06 -173.81 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.32 110.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.5 84.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.613 HG23 ' HB ' ' A' ' 54' ' ' THR . 0.2 OUTLIER -129.24 120.31 25.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.495 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 2.2 p -84.59 156.4 21.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -150.06 150.21 31.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -127.72 140.57 51.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.768 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.36 146.87 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.601 HD13 ' N ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -133.52 133.94 42.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.833 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.601 ' N ' HD13 ' A' ' 65' ' ' LEU . 21.4 t -134.85 128.0 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.234 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 t -134.33 119.87 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.89 179.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.59 -16.74 41.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.413 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -51.72 -33.42 34.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.82 0.343 . . . . 0.0 111.062 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.437 ' CD2' ' HB ' ' A' ' 101' ' ' THR . 23.2 m-85 -74.9 -30.66 61.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.62 -31.61 72.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.42 -49.77 74.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' HE3' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -97.06 159.64 30.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.708 0.289 . . . . 0.0 110.958 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.38 -175.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.178 . . . . 0.0 112.334 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tp -79.81 -44.31 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 78' ' ' GLN . 4.1 pp -75.06 -31.08 61.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.411 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -66.9 -48.07 69.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -59.58 -38.66 81.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -62.05 -39.24 91.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -70.53 -30.77 67.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.414 HD11 ' HE3' ' A' ' 74' ' ' LYS . 11.4 mt -58.93 -45.24 90.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.627 HG13 HD22 ' A' ' 39' ' ' LEU . 21.3 t -67.59 -36.49 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -74.92 -37.34 62.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.73 -51.12 71.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.0 t -60.07 -39.33 85.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.686 HD23 HD21 ' A' ' 39' ' ' LEU . 3.0 mm? -98.12 26.35 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.87 -43.22 96.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.391 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.14 -40.82 59.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.207 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -75.33 -32.53 60.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.689 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 91' ' ' LEU . 5.7 mt -45.34 -57.02 8.16 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.749 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -44.72 -35.99 10.0 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.584 2.19 . . . . 0.0 112.501 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -75.12 -31.02 61.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.468 HG21 ' HD2' ' A' ' 97' ' ' PHE . 23.1 mm -74.79 113.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.287 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -61.18 -33.7 73.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.007 0.432 . . . . 0.0 110.462 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 61' ' ' SER . . . -150.04 116.27 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.749 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.533 ' HE2' HD13 ' A' ' 35' ' ' LEU . 11.4 t80 -116.81 120.66 39.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -128.95 119.95 25.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.717 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.37 141.52 51.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.33 120.03 27.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.789 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.437 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 73.4 p -109.16 135.14 50.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.768 HD12 ' CZ3' ' A' ' 107' ' ' TRP . 6.6 mt -149.69 163.72 37.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.1 p -80.23 153.14 74.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.27 -53.98 5.99 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.53 2.154 . . . . 0.0 112.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.46 -36.31 75.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -44.38 97.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.768 ' CZ3' HD12 ' A' ' 102' ' ' LEU . 1.6 t-105 -74.87 -34.93 62.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.05 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.9 m -58.72 -31.14 68.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -79.82 -31.39 40.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -98.85 45.86 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -97.17 39.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -80.9 136.86 36.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.885 179.993 . . . . . . . . 0 0 . 1 stop_ save_