data_2n4f_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 2n4f _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -98.9 150.02 22.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.402 HD13 HG22 ' A' ' 66' ' ' ILE . 36.6 pt -136.36 151.75 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 177.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -105.36 143.49 33.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.92 134.87 65.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.3 m -91.87 116.9 29.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.9 t -104.8 116.13 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -104.93 122.93 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -108.67 157.41 36.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.871 166.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -60.81 -25.62 81.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -103.89 -24.31 13.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -175.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -159.96 163.15 34.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -172.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -130.91 152.52 50.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -160.07 150.73 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.1 p -111.59 147.9 34.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -130.0 158.87 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -112.05 123.38 50.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.11 171.83 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.9 t70 -98.99 144.04 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 176.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' ' 62' ' ' ASN . 37.7 ptt180 -67.71 -26.81 66.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -174.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.1 p -88.29 -9.01 54.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -175.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.456 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 67.7 mm-40 -80.03 155.68 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 175.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 78.5 p -83.39 164.98 19.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.184 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.38 -23.53 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.1 p -65.0 -29.86 70.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -71.44 -36.25 71.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.8 tp -62.39 -40.81 97.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.953 170.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.91 -34.56 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -58.35 -44.64 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -64.44 -40.79 96.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.3 -40.09 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -66.14 -36.72 83.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.99 -40.36 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.07 -38.87 56.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -96.59 -178.21 4.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -174.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -117.03 22.99 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.2 m -116.3 131.95 23.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 111.141 -176.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.12 145.2 93.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.34 -35.45 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -175.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.6 -20.82 65.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.0 -38.19 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.842 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 73.3 mtm -60.06 136.52 58.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -109.99 143.88 39.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 175.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 tt -127.19 122.87 35.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.987 -172.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -119.27 131.42 55.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' O ' ' C ' ' A' ' 50' ' ' SER . 43.1 t80 -103.49 135.53 44.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.949 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.491 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.1 t -28.54 103.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 175.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.53 -73.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 174.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.4 mt -104.41 133.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 111.129 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -90.88 112.91 24.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 64' ' ' TYR . 63.8 tp -81.79 111.47 18.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.97 1.9 40.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -96.4 108.6 21.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.25 -29.7 70.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -92.59 -2.27 56.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -169.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -70.21 129.17 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 176.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.553 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 70.8 m-80 -76.06 147.41 38.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.57 -46.95 80.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 46.5 t30 -63.19 -41.89 99.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.9 -25.25 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 54' ' ' LEU . 54.9 t80 -89.8 -18.91 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.03 27.32 7.44 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.46 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 6' ' ' ILE . 49.4 mm -84.73 122.01 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 0.0 111.058 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.6 p -113.77 -168.76 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -78.62 -4.03 46.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -114.15 10.47 17.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -55.99 128.5 35.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 -174.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -109.16 111.23 22.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.41 127.02 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -99.17 125.26 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.0 t -117.35 131.69 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.036 -171.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -174.9 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.51 143.89 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.4 pt -136.6 151.9 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -101.89 146.32 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.0 t -125.87 131.85 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 100.0 m -89.28 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.538 HG23 HD12 ' A' ' 72' ' ' ILE . 44.8 t -97.74 114.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -177.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.9 mttt -104.95 118.77 37.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -175.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.29 163.25 17.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.591 0.71 . . . . 0.0 110.839 165.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -53.64 -35.57 78.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.632 2.222 . . . . 0.0 112.271 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p -122.09 -5.66 8.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -168.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -157.9 162.0 38.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -172.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.444 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 83.8 mt-30 -142.04 150.6 41.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -139.34 156.5 46.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.4 m -106.38 136.5 46.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.227 172.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.9 m -128.52 158.04 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.08 177.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -118.44 127.42 53.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.49 171.01 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 -177.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -94.49 144.54 25.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -65.93 -34.47 78.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -88.97 -6.74 57.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.038 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -78.65 156.93 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.941 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 75.6 p -86.01 171.1 11.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.12 -30.79 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -58.83 -29.56 66.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -72.0 -39.76 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 173.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.07 -47.42 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -69.24 -35.37 76.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.915 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.35 -44.28 88.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.812 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -69.89 -37.6 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.58 -37.58 78.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 171.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -66.38 -38.47 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.76 -39.83 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 176.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.79 -40.28 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -97.58 -178.13 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -175.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -115.84 23.02 12.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.6 m -109.58 128.76 24.84 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.619 0.723 . . . . 0.0 111.074 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.41 143.4 54.74 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.763 2.309 . . . . 0.0 112.287 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.5 mt -59.06 -37.7 69.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.45 -20.93 66.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -100.96 -34.84 9.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -69.91 133.39 47.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -106.51 134.41 49.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.0 tp -119.69 114.99 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -173.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -116.55 141.5 48.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.501 ' O ' ' C ' ' A' ' 50' ' ' SER . 18.4 t80 -116.9 134.08 55.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.3 t -24.79 102.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 172.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.35 -79.6 0.59 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.2 mt -98.24 131.43 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.189 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -76.55 138.23 40.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.9 mt -89.47 65.38 7.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -170.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.63 -20.31 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -169.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -92.19 114.3 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.81 -35.87 82.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.813 -175.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -95.69 -8.63 34.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -166.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -79.34 134.64 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.858 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.498 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 71.8 m-80 -77.92 154.18 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -170.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.09 -41.93 84.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.02 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -58.88 -42.6 89.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.99 -29.72 69.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -176.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -78.69 -19.92 51.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.52 28.33 13.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -175.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -80.1 111.92 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 111.145 -178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.1 p -102.64 -177.99 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -172.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.11 -17.09 64.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -112.19 18.62 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.9 t -52.09 130.16 29.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -111.72 114.47 27.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 172.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 10' ' ' VAL . 43.2 pt -120.14 143.65 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 -177.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.6 t -109.04 129.2 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.3 t -120.33 130.58 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -172.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -178.239 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.815 0.341 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -105.02 139.13 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 pt -137.12 154.11 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -112.03 130.69 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 170.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.9 t -109.64 134.5 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.096 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.1 m -86.09 118.71 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.535 HG23 HD12 ' A' ' 72' ' ' ILE . 48.1 t -97.45 114.92 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -178.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -108.46 115.58 30.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -104.61 163.4 17.31 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 165.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.84 -33.51 81.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.749 2.3 . . . . 0.0 112.303 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -125.62 -6.1 6.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -172.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -140.89 147.44 38.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -172.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -140.63 146.16 37.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 176.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -168.01 166.04 13.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.9 p -111.11 149.18 31.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.253 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.1 156.08 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.094 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -109.21 123.54 49.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -176.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.37 168.09 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.165 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 8.8 t70 -98.84 148.79 23.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -64.49 -31.15 72.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -86.59 -5.26 59.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.065 -174.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.429 ' HG3' ' HB3' ' A' ' 22' ' ' ASP . 95.5 mt-10 -84.75 157.93 20.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.979 0.419 . . . . 0.0 110.846 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 29.5 p -85.66 176.06 8.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 173.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' A' ' 54' ' ' LEU . 19.9 m -65.33 -15.15 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 176.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -55.23 -45.31 75.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.2 p -71.38 -33.98 70.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.442 HD22 HD11 ' A' ' 72' ' ' ILE . 58.7 tp -64.22 -41.57 96.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -71.53 -34.09 69.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -57.31 -46.49 83.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -63.39 -42.13 98.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.92 -40.03 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -67.05 -36.03 81.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.96 -43.69 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.051 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.9 t -73.43 -39.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -94.89 -178.97 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.975 -175.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -116.67 21.23 13.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.8 m -112.93 129.5 24.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.562 0.696 . . . . 0.0 111.058 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.23 144.29 48.86 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.38 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.77 -36.62 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.95 -21.06 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.09 -37.7 8.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.7 tmm? -65.59 133.59 51.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -106.03 136.95 44.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.401 ' HG ' HD12 ' A' ' 54' ' ' LEU . 43.3 tp -125.72 112.8 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -170.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -114.65 138.9 50.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.502 ' O ' ' C ' ' A' ' 50' ' ' SER . 36.8 t80 -115.64 136.2 53.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 174.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.7 t -25.94 102.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 173.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.89 -76.68 0.53 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.4 mt -96.04 129.27 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.32 134.59 42.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 171.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HB3' HG11 ' A' ' 27' ' ' VAL . 70.4 mt -90.09 67.58 7.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -169.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.7 -19.38 19.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -166.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -94.47 109.62 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.65 -32.33 73.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.761 -169.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -93.45 -7.17 45.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -170.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -76.61 133.34 39.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.49 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-80 -77.28 153.53 33.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -170.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.62 -38.77 75.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -61.6 -39.6 91.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 176.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -67.98 -29.97 69.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -75.36 -19.93 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.91 29.77 16.94 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.445 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.4 mm -79.44 116.75 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 0.0 111.131 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -104.59 -179.44 3.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.155 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.91 -30.72 66.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -109.71 16.35 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -59.5 132.43 53.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -110.94 128.27 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.535 HD12 HG23 ' A' ' 10' ' ' VAL . 38.0 pt -118.65 143.48 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 -177.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -108.41 126.16 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.1 t -122.11 135.08 63.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -168.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.933 -178.829 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.846 0.355 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -95.48 141.19 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.82 -171.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 pt -136.55 150.82 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -95.88 134.75 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.767 175.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.2 t -115.21 129.3 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 172.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.7 m -90.35 115.75 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.141 171.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.5 t -100.17 117.09 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 -176.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -104.11 121.4 43.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -173.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.0 158.8 31.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 163.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -58.17 -31.95 94.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -102.86 -26.97 12.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -144.55 160.57 40.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -168.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -134.2 148.1 50.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -140.0 154.52 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.3 m -103.17 133.63 47.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.186 168.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.9 t -127.5 142.72 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.158 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -108.14 118.61 37.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 m -137.24 177.19 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 -172.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -115.39 137.21 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.885 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -66.96 -20.13 65.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -172.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.3 p -89.98 -11.57 41.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -85.79 158.63 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 173.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 60.6 p -84.95 172.69 11.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.22 -22.14 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.4 p -64.77 -31.28 72.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -66.6 -42.07 87.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.762 172.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.63 -39.64 92.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 174.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.71 -42.2 97.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.31 -45.01 88.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.34 -40.44 85.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.998 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.48 -38.46 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -68.19 -36.27 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.6 mt -67.86 -45.0 84.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.7 t -74.22 -50.61 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 -174.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -97.55 145.53 26.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -84.85 74.19 10.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 8.8 t -155.47 136.61 9.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 111.154 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 51.0 Cg_exo -58.24 143.48 97.06 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.33 -36.26 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.78 -24.98 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -91.37 -27.11 18.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -175.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -89.95 133.55 34.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -110.06 128.46 55.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.411 ' HG ' HD12 ' A' ' 54' ' ' LEU . 38.5 tp -109.22 114.79 28.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -171.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -135.77 159.66 40.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -139.91 134.78 32.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -166.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -38.47 130.03 1.35 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.16 -98.18 2.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.8 mt -93.52 126.52 45.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 111.134 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.32 138.8 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.411 HD12 ' HG ' ' A' ' 47' ' ' LEU . 50.2 mt -85.69 60.05 6.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -166.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.84 -16.9 34.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.005 -170.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -97.26 105.21 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.83 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -65.12 -26.43 68.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.24 -7.37 48.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -171.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -83.42 136.88 34.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.847 176.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 76.0 m-20 -81.13 155.58 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.73 -41.43 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -62.93 -38.51 91.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.77 -23.96 63.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -78.55 -17.27 56.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.77 22.23 56.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.6 mt -83.68 130.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.156 -174.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.2 p -108.0 178.67 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.174 -171.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -77.4 -3.37 39.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.818 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -112.55 -7.45 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.3 m -66.35 146.44 54.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -176.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -117.59 129.8 56.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 174.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.1 mt -117.38 132.75 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.6 t -110.03 139.2 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 -165.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -110.68 131.9 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.5 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 172.88 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.41 ' HB3' ' HD3' ' A' ' 23' ' ' ARG . 99.1 mtt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.948 0.404 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -99.29 153.88 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 pt -140.07 150.19 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 171.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -97.48 126.14 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.797 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.8 t -114.15 124.93 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.1 m -89.96 116.1 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.3 t -96.92 117.68 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -107.88 121.85 45.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -113.77 156.49 43.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.708 . . . . 0.0 110.974 163.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -61.26 -24.16 78.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.411 173.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 99.2 p -91.79 -31.2 15.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -165.55 157.43 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.964 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -129.3 149.84 50.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 176.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -159.27 163.02 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -120.2 141.39 49.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.0 m -126.97 160.13 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.071 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -107.63 119.34 39.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.93 167.97 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -104.37 128.75 52.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HD3' ' HB3' ' A' ' 4' ' ' ARG . 13.3 ptm180 -69.19 -22.33 63.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -171.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.6 p -91.05 -8.48 48.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -85.74 163.61 18.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 170.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 80.7 p -79.69 165.96 22.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 54' ' ' LEU . 8.9 p -64.89 -19.89 26.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -62.71 -26.26 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -176.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 m -66.2 -40.94 90.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.33 -39.93 94.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 174.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.16 -40.01 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -58.35 -45.54 87.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 173.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.41 -40.76 95.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.82 -40.8 90.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -66.07 -34.59 78.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.21 -47.1 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.3 t -81.28 -40.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 5.8 tp10 -100.01 145.28 28.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -176.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -88.24 71.01 9.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.8 m -155.81 125.49 3.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.182 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -52.09 141.54 47.47 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.426 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.7 mt -60.86 -37.75 77.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.966 0.412 . . . . 0.0 111.127 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -68.43 -19.58 64.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -102.15 -33.9 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -63.82 130.08 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -101.27 126.13 47.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' A' ' 54' ' ' LEU . 67.3 tp -120.31 116.54 25.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -174.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -134.27 154.19 51.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -143.47 136.83 28.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -173.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.2 t -38.3 128.63 1.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 174.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.23 -99.26 2.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.505 -172.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.3 mt -94.03 127.31 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 0.0 111.153 -177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.56 135.6 50.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.433 ' HB3' HG22 ' A' ' 27' ' ' VAL . 46.7 mt -84.03 63.61 7.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -170.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.22 -8.05 15.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 -173.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -93.68 105.59 17.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -65.47 -26.74 68.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -91.93 -11.48 36.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -171.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -79.96 134.75 36.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 76.4 m-20 -79.91 156.28 27.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 -176.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 99.3 mt -58.18 -38.97 77.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -64.37 -39.32 93.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.57 -25.98 65.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -75.28 -21.61 58.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 174.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.52 24.89 44.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -87.19 130.97 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.346 . . . . 0.0 111.174 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.6 p -107.87 177.0 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 -171.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -76.33 -5.43 47.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.801 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -110.41 -8.2 14.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 m -63.39 130.13 43.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -108.44 127.0 53.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 174.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.76 124.86 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -173.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.3 t -94.9 128.9 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.1 t -116.34 135.51 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.0 t80 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.837 -174.905 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -103.7 139.94 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.416 HD13 HG22 ' A' ' 66' ' ' ILE . 45.2 pt -136.96 155.3 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -108.13 144.78 35.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 170.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.6 t -123.13 134.32 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -88.44 119.7 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.534 HG23 HD12 ' A' ' 72' ' ' ILE . 46.3 t -100.58 115.85 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 -175.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 96.0 mttt -104.95 117.55 34.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -176.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -109.8 158.25 35.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 162.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.41 -26.33 76.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.227 . . . . 0.0 112.288 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.0 p -105.59 -20.02 13.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -174.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -158.12 160.21 37.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -172.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 82.6 mt-30 -139.81 150.0 44.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 172.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -164.31 166.56 20.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.5 p -111.12 150.02 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.158 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.6 m -128.54 155.75 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -109.38 121.35 45.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.25 170.41 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -100.28 141.07 33.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 176.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -66.25 -25.09 66.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -175.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.0 p -92.04 -7.62 48.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -79.29 157.6 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 67.3 p -83.74 167.48 17.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -174.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.19 -33.61 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 p -62.12 -29.09 70.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.6 m -71.29 -39.32 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.1 -40.43 97.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 173.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.09 -37.92 89.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.2 -43.61 92.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -62.31 -40.98 98.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.0 -40.23 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 172.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -66.58 -34.42 77.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.8 -42.65 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.069 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.3 t -76.05 -39.98 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -94.65 179.95 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -173.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -115.72 21.79 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -114.72 129.78 24.69 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -53.69 144.98 51.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 0.0 112.357 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.56 -36.85 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.53 -21.75 65.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.948 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -99.81 -37.68 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -64.99 134.31 53.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -106.28 138.6 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.6 tp -127.92 119.04 24.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -119.35 142.45 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' C ' ' A' ' 50' ' ' SER . 18.4 t80 -115.06 134.77 54.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.9 t -29.54 103.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.774 176.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.79 -84.57 0.73 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.3 mt -93.82 129.06 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 111.141 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.39 135.67 45.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.33 61.61 6.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.25 -36.43 77.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -171.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -85.45 113.26 21.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -171.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -64.75 -34.5 78.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -97.05 -6.93 34.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -166.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -74.37 141.54 45.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 98.4 m-20 -74.83 149.45 39.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -174.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 97.0 mt -60.3 -42.81 96.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -60.45 -37.61 81.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.779 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -67.33 -29.92 69.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -177.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -80.67 -19.96 44.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.53 27.17 8.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.462 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.416 HG22 HD13 ' A' ' 6' ' ' ILE . 39.6 mm -79.9 116.54 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.975 0.417 . . . . 0.0 111.117 178.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.7 p -107.48 -177.36 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 -173.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.73 -15.9 63.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -110.47 16.84 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.1 t -55.38 133.87 49.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -121.7 118.09 28.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.534 HD12 HG23 ' A' ' 10' ' ' VAL . 47.3 pt -119.08 142.92 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -176.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.9 t -107.7 126.1 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.73 135.14 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 -168.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -178.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.879 0.371 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -105.01 143.44 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 174.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.425 HD13 HG22 ' A' ' 66' ' ' ILE . 42.6 pt -137.14 153.31 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -178.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -105.0 146.11 29.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 173.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.5 t -123.61 131.8 72.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.7 m -87.77 120.38 29.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.509 HG23 HD12 ' A' ' 72' ' ' ILE . 44.6 t -99.81 113.87 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 -177.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -105.91 115.43 30.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -174.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -105.22 157.96 33.19 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.927 164.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -62.1 -24.93 76.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -107.46 -19.99 13.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -174.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -157.25 160.1 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.87 -172.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -138.93 148.9 44.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -162.62 165.13 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -111.2 150.28 29.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.199 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.82 158.46 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -111.95 124.65 52.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.01 170.73 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.509 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.9 t70 -94.78 146.61 24.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -65.13 -33.18 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.3 p -89.44 -7.68 54.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 -172.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.509 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 64.4 mm-40 -78.7 156.63 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.917 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 74.4 p -85.03 170.0 13.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.36 -19.84 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -62.32 -29.82 70.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.3 m -73.94 -37.56 64.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 173.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.6 tp -65.07 -46.33 81.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -69.09 -31.59 70.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.4 -43.62 83.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.874 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -62.83 -41.36 99.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.23 -40.96 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 175.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -66.51 -36.63 83.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.0 -43.2 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.3 t -72.83 -40.06 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -94.44 -179.9 5.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -175.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -115.8 20.96 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.4 m -110.7 129.33 24.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.532 0.682 . . . . 0.0 111.114 -176.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -53.28 142.87 55.39 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.774 2.316 . . . . 0.0 112.341 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.3 mt -58.78 -37.32 65.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.48 -21.73 66.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -99.91 -35.97 9.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -65.27 132.46 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -103.92 134.93 46.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.5 tp -124.48 117.91 25.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -170.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -123.23 141.63 51.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.462 ' O ' ' C ' ' A' ' 50' ' ' SER . 17.5 t80 -115.54 135.31 54.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.6 t -31.06 103.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.78 -81.63 0.58 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.519 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.8 mt -95.8 128.5 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.074 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.46 136.08 42.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.868 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.8 mt -85.02 61.91 7.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.02 -36.86 24.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 -167.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -91.8 125.82 36.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -169.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -70.07 -36.75 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -78.25 -12.45 60.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -170.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -80.02 140.02 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-80 -82.49 156.91 23.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -176.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.29 -41.62 84.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.024 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -61.64 -38.81 89.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.11 -29.1 69.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -80.74 -18.58 47.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.867 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.76 27.37 17.11 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -173.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.425 HG22 HD13 ' A' ' 6' ' ' ILE . 35.0 mm -79.24 116.87 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.922 0.392 . . . . 0.0 111.167 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.0 p -110.58 -179.14 3.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 -175.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.05 -23.73 62.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -108.41 16.8 22.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -175.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.4 t -55.95 135.45 52.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -120.51 116.95 26.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.883 174.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.509 HD12 HG23 ' A' ' 10' ' ' VAL . 46.9 pt -116.54 143.4 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.76 126.32 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.97 134.87 65.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.875 -179.059 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -105.56 146.85 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 173.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 pt -137.31 154.42 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -112.09 140.35 46.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.0 t -116.85 134.73 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.5 m -86.1 118.08 25.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.54 HG23 HD12 ' A' ' 72' ' ' ILE . 52.3 t -96.66 114.99 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 97.8 mttt -105.91 114.46 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.417 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 95.0 m-85 -104.93 159.41 29.44 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.656 0.741 . . . . 0.0 110.894 161.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 27.4 Cg_endo -61.26 -24.96 79.86 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.725 2.284 . . . . 0.0 112.275 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.7 p -117.76 -13.06 10.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -173.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -151.0 151.64 32.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 82.2 mt-30 -138.92 149.51 44.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 171.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -164.94 164.97 20.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.7 m -110.63 141.1 44.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.22 -175.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.6 m -124.4 153.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -108.71 125.06 51.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -176.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.1 m -136.59 169.03 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.471 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 9.7 t70 -96.51 151.73 19.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 178.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -63.45 -35.22 79.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -86.58 -5.13 59.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 -172.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.471 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 55.2 mm-40 -82.59 157.99 23.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.917 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 66.0 p -87.86 172.26 9.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 m -66.22 -24.9 34.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -66.55 -29.43 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.8 m -71.43 -38.97 71.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 172.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD22 HD11 ' A' ' 72' ' ' ILE . 62.7 tp -62.4 -40.35 96.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 171.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -66.82 -36.97 83.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.4 -43.56 92.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 175.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -61.89 -41.27 97.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.76 -40.26 87.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -65.89 -35.29 80.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.833 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.31 -42.48 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.09 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.7 t -74.98 -40.0 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -92.95 179.94 5.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -115.68 20.57 14.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.0 m -113.15 129.65 24.34 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.541 0.686 . . . . 0.0 111.109 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.53 144.9 49.67 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.633 2.222 . . . . 0.0 112.404 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 95.6 mt -59.77 -37.32 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.91 -20.81 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -99.98 -37.97 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.08 134.86 54.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -106.51 136.72 45.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.5 tp -124.74 115.3 20.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -171.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -114.17 137.63 51.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' SER . 34.6 t80 -115.0 136.27 53.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 175.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.1 t -23.7 102.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.807 173.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.11 -75.06 0.6 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.4 mt -98.95 131.03 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.123 -173.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -76.29 135.73 39.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 172.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 66.4 mt -93.7 70.24 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -170.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.61 -15.27 19.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -169.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 95.1 m-20 -101.71 116.11 32.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -177.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -75.95 -29.36 58.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -174.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -78.13 -11.96 59.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -175.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -85.16 137.36 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 20.1 p30 -95.81 166.33 11.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -172.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.407 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 91.6 mt -58.54 -37.16 75.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -174.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.1 -37.05 86.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.18 -28.0 68.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.4 ' OH ' ' HB2' ' A' ' 56' ' ' ASP . 46.4 m-85 -89.35 -7.26 55.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 -175.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.08 32.45 35.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -176.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.407 ' HB ' ' HB3' ' A' ' 61' ' ' LEU . 41.1 mm -76.77 111.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.962 0.411 . . . . 0.0 111.115 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.9 p -105.09 -178.47 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.206 -172.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.49 -26.04 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -110.37 22.94 14.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -173.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.7 t -53.99 129.8 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -176.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -113.4 116.3 29.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 174.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.54 HD12 HG23 ' A' ' 10' ' ' VAL . 40.0 pt -119.19 142.65 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.4 t -109.0 126.87 66.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.0 t -121.08 135.13 62.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -168.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.906 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -105.35 144.08 32.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.409 HD13 HG22 ' A' ' 66' ' ' ILE . 43.8 pt -136.55 154.4 32.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -103.93 149.5 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 172.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.18 130.01 73.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -87.53 120.06 28.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.537 HG23 HD12 ' A' ' 72' ' ' ILE . 42.4 t -99.8 114.57 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.164 -177.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.79 115.58 30.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -175.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.404 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 89.4 m-85 -104.36 159.48 29.17 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 162.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 25.6 Cg_endo -61.33 -25.3 80.09 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.666 2.244 . . . . 0.0 112.298 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.1 p -120.7 -11.33 9.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -144.53 149.69 36.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -172.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -140.01 146.31 38.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -165.0 164.82 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 173.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.2 p -113.02 149.98 32.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.164 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.73 158.29 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -112.29 124.15 51.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.2 m -137.04 170.74 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -92.75 146.56 23.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -65.36 -32.63 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -89.8 -5.21 57.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.157 -173.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -79.95 158.95 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.0 p -89.53 168.61 12.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.235 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -65.12 -19.99 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.4 p -61.96 -30.16 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.1 m -75.06 -37.4 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 172.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.88 -45.37 86.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -68.74 -31.57 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -58.53 -43.78 89.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 173.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -62.04 -41.35 98.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.59 -41.85 91.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -67.87 -35.66 78.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.08 -42.93 95.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.2 t -71.98 -40.55 67.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -95.04 -175.6 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -175.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -124.2 22.59 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.7 m -113.24 130.45 23.62 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.544 0.687 . . . . 0.0 111.143 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -54.09 143.76 61.09 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.65 -35.75 61.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.11 -21.82 66.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.12 -26.37 14.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.974 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -76.21 133.24 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.407 ' HB3' ' HB2' ' A' ' 75' ' ' PHE . 66.1 tt0 -106.33 133.4 51.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 175.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.8 tp -119.82 110.62 16.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -170.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -116.07 138.88 50.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.475 ' O ' ' C ' ' A' ' 50' ' ' SER . 24.0 t80 -115.02 137.15 52.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 175.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.9 t -28.79 103.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.814 175.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.24 -79.57 0.52 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.57 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.2 mt -96.79 131.02 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.1 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -74.34 134.41 42.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 173.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.0 mt -85.78 64.15 8.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -172.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.98 -29.68 19.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 -167.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -93.93 118.85 32.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -170.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -68.76 -35.62 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -174.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -78.24 -12.65 60.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -80.11 139.71 36.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -83.82 157.29 22.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.82 -41.14 86.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -61.36 -39.08 89.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.33 -27.73 67.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -79.98 -18.65 49.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.33 29.12 15.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.455 -173.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.409 HG22 HD13 ' A' ' 6' ' ' ILE . 27.9 mm -79.78 114.39 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 111.063 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.0 p -103.92 178.65 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.04 -27.04 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -110.09 19.3 19.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -175.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 88.6 p -56.21 145.46 26.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -126.26 118.35 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.537 HD12 HG23 ' A' ' 10' ' ' VAL . 45.3 pt -115.94 143.29 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.2 t -108.69 127.11 65.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.21 130.82 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -170.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.407 ' HB2' ' HB3' ' A' ' 46' ' ' GLN . 89.6 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.959 -176.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.916 0.389 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -103.41 134.9 46.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.3 pt -137.59 152.82 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 175.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -105.43 144.64 31.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 171.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.88 130.64 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.097 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.6 m -86.11 119.71 26.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.531 HG23 HD12 ' A' ' 72' ' ' ILE . 39.8 t -97.61 114.22 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -177.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -105.44 116.27 31.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -175.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.415 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 89.5 m-85 -106.28 160.06 27.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.663 0.744 . . . . 0.0 110.939 163.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 31.2 Cg_endo -62.49 -25.55 75.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.257 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p -115.74 -15.16 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.982 0.42 . . . . 0.0 110.821 -172.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -152.89 160.86 43.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.888 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -141.53 149.47 40.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 172.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -162.8 165.07 25.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -111.25 150.09 30.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -175.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.97 158.62 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 175.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -114.19 122.87 48.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.09 168.74 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -90.72 141.24 29.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 178.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -66.8 -33.83 76.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.7 p -88.8 -5.91 57.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 -174.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -83.62 156.41 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 81.1 p -82.21 169.84 16.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.196 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.1 m -66.68 -21.15 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.085 -176.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -61.55 -30.72 70.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -71.29 -41.02 70.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.414 HD22 HD11 ' A' ' 72' ' ' ILE . 63.3 tp -61.38 -47.38 86.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -69.92 -34.75 73.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.64 -46.39 90.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.59 -38.59 84.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.77 -38.3 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 171.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -66.32 -37.5 85.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.64 -39.94 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.9 t -68.67 -40.79 82.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -94.38 -177.94 4.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -121.6 26.51 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -109.81 127.44 27.12 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 111.111 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -52.92 143.42 49.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.785 2.324 . . . . 0.0 112.358 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.72 -37.4 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.123 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.8 -21.04 66.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.03 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -99.94 -34.48 10.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 63.0 ttp -74.74 134.22 41.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -106.48 134.69 49.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.5 tp -115.12 117.93 31.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -121.47 140.63 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.481 ' O ' ' C ' ' A' ' 50' ' ' SER . 19.0 t80 -115.17 135.65 53.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.9 t -28.16 103.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.818 174.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.12 -76.92 0.52 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.569 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.5 mt -99.62 130.69 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.037 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -75.36 135.86 40.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.9 mt -85.31 66.62 9.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.944 -174.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.77 -23.46 18.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.144 -170.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -88.96 112.72 23.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.12 -30.23 70.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.39 -10.5 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -170.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -81.08 133.22 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.83 175.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.49 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.2 m-80 -79.55 156.97 27.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -171.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.23 -42.84 96.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.958 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -55.5 -45.24 77.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 172.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.08 -30.06 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -77.69 -19.38 55.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.02 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.8 29.05 13.97 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.42 -175.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.0 mm -83.19 116.93 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.966 0.412 . . . . 0.0 111.118 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.5 p -108.88 -177.27 3.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.42 -17.76 64.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -109.06 16.29 22.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.942 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.0 t -55.15 133.28 48.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -116.63 114.92 24.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 174.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.531 HD12 HG23 ' A' ' 10' ' ' VAL . 45.5 pt -119.36 143.42 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -177.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.0 t -109.56 130.11 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -121.56 134.07 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -172.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -175.457 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.812 0.339 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -105.61 144.89 31.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.3 pt -135.79 150.01 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 176.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -101.13 147.59 26.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.6 t -123.51 128.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -88.51 118.41 28.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.513 HG23 HD12 ' A' ' 72' ' ' ILE . 36.4 t -101.46 114.42 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.224 -174.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -108.73 112.63 25.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -174.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.585 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 50.9 m-85 -94.43 165.95 16.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 162.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.585 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 22.5 Cg_endo -62.23 -28.13 78.96 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.651 2.234 . . . . 0.0 112.274 -177.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.3 p -133.25 12.77 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -154.26 149.33 26.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -139.73 145.67 38.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 173.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -161.39 162.42 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 172.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.6 p -112.53 149.87 32.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.224 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -131.12 158.29 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 176.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -113.14 124.21 52.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.38 168.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -175.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' HB3' ' CG ' ' A' ' 25' ' ' GLU . 8.6 t70 -90.0 144.33 26.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -65.52 -32.92 74.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -90.05 -5.41 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -173.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' CG ' ' HB3' ' A' ' 22' ' ' ASP . 48.7 mm-40 -80.63 158.56 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 80.7 p -88.73 170.04 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.202 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.78 -21.93 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.9 p -65.12 -29.93 70.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.1 m -72.39 -37.99 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 172.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.74 -47.92 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -68.98 -32.91 72.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -174.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.79 -45.39 94.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.93 -38.28 85.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.02 -39.12 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 172.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -65.83 -36.79 84.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.71 -40.08 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.9 -39.9 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -94.85 -176.6 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -124.14 27.96 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.1 m -114.32 129.81 24.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.599 0.714 . . . . 0.0 111.054 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.54 141.35 63.07 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.33 -34.23 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.14 -22.98 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -97.95 -36.35 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.7 ttm -69.79 132.94 46.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -104.4 136.47 43.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.3 tp -121.16 118.14 28.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -171.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -127.26 143.3 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.462 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.6 t80 -115.14 136.57 52.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 175.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.1 t -30.71 103.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.67 -82.95 0.62 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.47 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.6 mt -94.69 131.18 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 111.095 -175.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -74.43 135.03 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.8 mt -84.71 62.76 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.977 -177.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.48 -22.71 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -170.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -92.71 112.06 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -175.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -64.85 -31.5 72.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -94.53 -7.91 39.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -169.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -81.44 134.12 35.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.451 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 72.5 m-80 -79.52 156.58 27.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -169.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.85 -41.37 91.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.43 -41.69 94.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.63 -30.27 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -77.67 -19.93 54.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.913 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.02 30.06 13.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -175.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.3 mm -81.71 114.26 22.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.956 0.408 . . . . 0.0 111.115 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -100.59 179.17 4.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.198 -172.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.34 -27.56 67.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -110.33 21.0 17.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -175.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 99.3 p -57.36 144.89 34.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -175.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -124.65 120.47 31.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.513 HD12 HG23 ' A' ' 10' ' ' VAL . 40.0 pt -116.64 143.43 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -101.17 125.22 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.02 130.08 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.038 -175.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -169.88 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.813 0.339 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -104.02 144.19 31.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 172.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.41 HD13 HG22 ' A' ' 66' ' ' ILE . 41.6 pt -136.48 151.08 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 178.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -102.52 146.18 28.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 173.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -124.64 131.03 73.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -87.07 119.31 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.546 HG23 HD12 ' A' ' 72' ' ' ILE . 38.4 t -99.82 112.94 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -176.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.7 mttt -105.14 118.28 36.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -174.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -104.55 163.79 16.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.737 0.779 . . . . 0.0 110.843 166.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -53.34 -36.42 78.58 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p -122.79 -4.48 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -168.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -157.7 162.52 38.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -172.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.455 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 83.7 mt-30 -142.22 149.92 40.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.789 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -139.08 156.25 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.1 m -106.04 137.1 44.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.208 172.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.9 m -127.95 158.09 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.135 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -118.82 128.07 54.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.3 m -136.09 170.74 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.027 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.84 144.82 25.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -64.97 -32.72 74.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -87.61 -5.37 58.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -173.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -81.9 159.15 23.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.961 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 78.4 p -89.44 171.21 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.99 -22.5 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.3 p -64.63 -30.01 71.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -71.99 -38.97 69.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 172.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.407 HD22 HD11 ' A' ' 72' ' ' ILE . 59.4 tp -63.5 -47.31 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -70.08 -34.22 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.45 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.792 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -67.54 -38.5 84.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.69 -38.05 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 172.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -66.24 -37.98 86.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.34 -39.57 85.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.54 -39.71 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -94.97 -173.37 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -126.79 24.99 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.1 m -111.78 129.39 24.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.61 0.719 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -52.6 142.5 49.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.777 2.318 . . . . 0.0 112.329 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.75 -37.3 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.6 -21.17 66.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -99.82 -37.06 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.3 ttp -68.32 134.29 50.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -105.5 137.54 43.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.6 tp -122.65 119.01 29.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -173.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -123.7 141.79 51.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.4 t80 -115.22 136.16 53.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 175.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.8 t -27.1 103.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.812 174.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.7 -77.61 0.55 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.8 mt -99.41 132.07 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.741 0.305 . . . . 0.0 111.153 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -74.25 136.51 42.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.6 mt -85.59 64.16 8.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.13 -26.95 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -170.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -92.75 116.74 29.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -172.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -68.62 -31.41 70.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -91.41 -9.28 45.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -172.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -86.67 124.34 32.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.887 171.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 18.4 p30 -89.31 165.78 14.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -165.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.43 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 94.4 mt -57.59 -38.12 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -172.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -65.13 -39.01 92.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.97 -31.69 72.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -79.49 -17.93 53.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.953 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.34 31.12 10.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.439 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.43 ' HB ' ' HB3' ' A' ' 61' ' ' LEU . 47.2 mm -81.41 113.41 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.99 0.424 . . . . 0.0 111.143 -178.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.5 p -107.51 -177.36 3.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.146 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.81 -18.52 64.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -110.1 19.21 19.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 t -54.36 133.38 45.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -175.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -117.71 115.44 25.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 174.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.546 HD12 HG23 ' A' ' 10' ' ' VAL . 46.1 pt -119.59 143.88 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.4 t -108.13 129.15 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.165 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.44 129.82 75.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -177.533 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -105.25 141.82 36.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 pt -138.58 154.56 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -111.84 124.25 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 170.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.7 t -107.59 137.61 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 -174.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -87.67 117.05 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.498 HG23 HD12 ' A' ' 72' ' ' ILE . 59.9 t -96.73 114.98 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -105.14 116.13 31.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -176.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -102.14 163.74 17.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 167.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -52.71 -35.75 69.83 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.365 -178.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.8 p -123.04 -9.96 8.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -171.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -142.04 160.29 40.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -170.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -137.77 145.36 42.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 172.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -140.68 155.14 46.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.8 m -105.93 137.01 44.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.5 151.6 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.123 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -111.15 122.08 46.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.98 169.79 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.144 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -103.09 142.37 34.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -65.68 -26.1 67.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.6 p -90.73 -8.74 48.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -79.19 156.66 28.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 64.4 p -82.25 166.97 19.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 -176.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.79 -34.71 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.6 p -60.38 -30.79 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -68.37 -40.13 81.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.7 HD21 ' O ' ' A' ' 30' ' ' LEU . 3.5 tt -64.25 -40.28 95.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 174.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.87 -36.69 85.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -57.39 -44.36 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.837 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -62.94 -41.61 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.77 -40.68 89.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 174.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -66.7 -34.24 77.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.34 -42.47 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.108 176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.3 t -72.12 -40.77 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -95.75 -176.88 3.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -121.37 27.99 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.2 m -114.84 129.81 24.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 111.119 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.21 142.81 44.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.23 -34.19 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.75 -21.79 66.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.34 -33.91 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -72.47 134.87 45.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -109.63 133.0 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.817 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.8 tp -117.22 119.81 36.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -174.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -117.76 142.43 47.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.009 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 19.7 t80 -115.33 135.2 54.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 176.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.1 t -28.3 103.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 175.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.67 -81.99 0.6 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.5 mt -97.07 130.66 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.312 . . . . 0.0 111.094 -176.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -74.17 134.98 42.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.28 65.41 9.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.942 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.76 -19.88 26.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -169.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -91.57 109.09 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -177.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -65.21 -37.79 88.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 -170.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.35 -5.68 42.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -168.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -74.66 140.1 44.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.489 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 97.9 m-20 -75.01 149.9 39.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -172.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.39 -41.27 96.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -61.11 -38.0 84.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -67.63 -30.21 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -79.96 -20.05 46.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.61 28.44 8.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.426 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.93 111.28 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.409 . . . . 0.0 111.149 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.7 p -101.46 -178.95 3.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.119 -171.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.28 -30.4 64.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -110.1 23.86 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -173.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t -53.74 132.13 40.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.842 -175.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -111.36 117.78 34.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.498 HD12 HG23 ' A' ' 10' ' ' VAL . 41.1 pt -121.32 142.52 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.036 -178.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.7 t -110.77 129.83 65.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -119.92 129.98 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -170.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 178.847 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.879 0.371 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -104.9 144.41 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 172.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.3 pt -137.4 154.85 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -113.76 142.85 45.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 170.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.54 135.41 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.5 m -86.55 118.43 25.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.545 HG23 HD12 ' A' ' 72' ' ' ILE . 48.2 t -98.04 114.8 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -177.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.26 115.63 30.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -106.26 157.87 33.9 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.678 0.752 . . . . 0.0 110.86 162.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.67 -24.72 78.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.257 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.3 p -97.33 -29.3 13.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.796 -174.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -165.02 162.67 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -130.78 150.03 52.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -161.57 165.0 29.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.3 p -109.17 150.22 28.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.225 -177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -128.64 151.93 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.068 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -107.08 122.22 46.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.86 169.69 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -90.99 145.7 24.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.28 -34.89 79.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -88.27 -5.41 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -173.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -80.08 158.92 26.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 79.9 p -85.65 172.55 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -65.8 -21.48 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 -175.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -64.24 -32.44 74.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.752 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 m -71.17 -37.33 72.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 173.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 72' ' ' ILE . 54.6 tp -62.86 -39.24 93.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 172.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -68.4 -36.07 78.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -58.19 -46.05 86.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.83 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.42 -41.27 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.61 -40.63 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 173.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -68.17 -35.35 77.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.7 mt -63.86 -43.09 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.3 t -73.6 -39.17 53.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -94.28 -177.34 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -122.93 22.59 9.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.9 m -112.92 129.92 24.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.734 . . . . 0.0 111.049 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -52.5 143.08 46.51 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.629 2.219 . . . . 0.0 112.346 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.1 -35.86 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.42 -20.97 66.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -100.3 -32.46 10.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -70.49 132.73 45.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -104.85 133.11 50.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.413 ' HG ' ' HB2' ' A' ' 54' ' ' LEU . 43.6 tp -118.05 111.07 18.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -114.6 139.36 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' O ' ' C ' ' A' ' 50' ' ' SER . 28.4 t80 -115.82 135.68 53.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 174.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.2 t -27.7 103.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 174.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.99 -83.47 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.568 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.4 mt -96.01 131.6 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 111.04 -173.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -74.86 136.25 41.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.413 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 70.4 mt -90.21 66.75 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.917 -171.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.71 -18.32 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -166.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -89.32 113.2 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -173.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.66 -31.48 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -174.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -94.8 -9.02 35.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.031 -170.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -83.51 132.3 34.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.854 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.6 m-80 -79.91 157.64 26.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -171.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.82 -40.86 89.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.991 175.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -61.22 -41.49 96.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.46 -29.99 70.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.24 -19.52 50.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.83 28.2 19.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -177.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mm -81.9 121.29 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.971 0.415 . . . . 0.0 111.122 -178.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.6 p -109.86 -170.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 -173.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -78.58 -11.55 59.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -116.21 -1.67 12.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.3 m -63.81 134.68 55.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.785 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -110.13 129.29 55.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.838 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.545 HD12 HG23 ' A' ' 10' ' ' VAL . 42.3 pt -117.37 143.49 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.083 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -108.25 125.89 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -120.07 134.37 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -169.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -177.696 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.824 0.345 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.9 149.3 28.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.841 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.406 ' HA ' ' HG2' ' A' ' 68' ' ' GLU . 44.7 pt -135.89 149.85 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 176.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -98.93 142.62 30.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -125.07 128.9 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.7 m -95.06 113.97 25.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -100.07 116.46 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -174.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -100.04 124.73 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.408 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 79.1 m-85 -106.81 164.48 14.75 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.583 0.706 . . . . 0.0 110.912 172.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 88.1 Cg_exo -53.08 -38.75 80.94 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 -175.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -120.17 -9.01 9.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -170.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -151.41 165.04 35.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -171.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -131.43 155.16 47.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -159.04 142.84 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p -107.93 147.98 30.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.187 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.59 162.39 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.088 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -117.2 126.37 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.52 168.47 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -91.75 144.16 25.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -65.35 -32.99 74.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -176.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.0 p -89.83 -6.74 55.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.94 158.13 26.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 67.4 p -90.1 169.96 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 m -65.82 -20.1 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.7 p -62.48 -29.47 70.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.5 m -74.13 -39.36 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.94 -46.86 85.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -69.59 -34.64 74.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.69 -45.12 95.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -67.48 -39.68 85.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.94 -38.02 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 172.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -67.08 -39.18 86.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.78 -40.07 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.2 t -70.73 -38.64 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.077 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -95.03 -175.18 3.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -119.54 18.34 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 174.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 96.7 m -100.97 127.56 31.78 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.536 0.684 . . . . 0.0 111.136 -177.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 74.7 Cg_exo -53.75 140.7 66.68 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.68 -39.78 82.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.15 -21.4 66.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -175.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -101.51 -33.91 9.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -70.13 134.27 47.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -106.74 138.78 42.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HG ' HD12 ' A' ' 54' ' ' LEU . 32.7 tp -120.46 118.11 29.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -169.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -122.68 136.3 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -170.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.583 ' O ' ' C ' ' A' ' 50' ' ' SER . 3.8 t80 -110.56 118.51 36.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 176.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.583 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.7 t -22.04 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.1 -63.77 0.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.3 pt -115.96 148.75 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.353 . . . . 0.0 111.073 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -83.27 141.26 31.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 176.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.458 HD12 ' HG ' ' A' ' 47' ' ' LEU . 85.5 mt -88.95 66.15 7.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.973 -175.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.23 -21.45 25.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -165.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -96.19 111.07 23.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -172.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -31.76 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 -173.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.71 -5.88 50.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -169.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -83.05 132.95 35.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.0 m-80 -80.1 155.8 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -169.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.28 -42.38 77.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -62.69 -39.63 94.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.83 -29.28 69.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -74.86 -19.99 59.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.17 25.77 32.96 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 -172.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.404 HG23 ' CB ' ' A' ' 70' ' ' SER . 96.9 mt -84.67 124.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 111.133 -177.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.7 p -114.02 -168.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -170.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' A' ' 6' ' ' ILE . 97.3 mt-10 -77.55 -11.97 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -110.98 11.07 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.404 ' CB ' HG23 ' A' ' 66' ' ' ILE . 30.6 t -64.62 135.41 55.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -172.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -102.61 122.13 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 169.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.0 mm -114.57 124.8 71.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.5 t -99.98 129.09 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 -173.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -108.44 128.23 64.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 177.277 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.844 0.355 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.58 143.03 35.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.4 pt -136.97 152.78 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.103 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -113.64 141.91 46.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 171.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.38 135.23 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.0 m -87.16 118.47 26.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.56 HG23 HD12 ' A' ' 72' ' ' ILE . 57.3 t -96.49 115.33 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -177.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.1 mttt -105.1 115.62 30.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -177.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -106.28 157.75 34.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.736 . . . . 0.0 110.828 160.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -60.92 -24.14 78.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.0 p -98.02 -29.72 13.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -165.22 161.96 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 86.3 mt-30 -130.59 152.21 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 176.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -161.07 164.52 30.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 176.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m -109.49 142.3 40.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.174 -174.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.7 m -124.33 151.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.102 177.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -108.2 123.56 48.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.4 169.37 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 8.8 t70 -95.84 148.44 22.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 178.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.42 -33.55 76.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.6 p -84.32 -5.04 59.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -174.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.45 ' HG3' ' HB3' ' A' ' 22' ' ' ASP . 94.6 mt-10 -84.11 158.26 21.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 30.0 p -85.79 177.42 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 174.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.05 -18.08 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.076 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -55.3 -44.3 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.7 p -71.0 -33.59 70.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.422 HD22 HD11 ' A' ' 72' ' ' ILE . 56.1 tp -64.8 -40.07 94.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.964 174.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.05 -37.55 81.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -57.31 -46.77 82.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -64.66 -41.43 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.03 -39.92 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 173.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -66.23 -35.82 81.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.31 -42.7 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.112 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.9 t -75.06 -39.97 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -92.87 -179.99 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -173.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -115.34 18.66 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.0 m -112.15 129.8 23.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.564 0.697 . . . . 0.0 111.134 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -53.47 144.13 52.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.1 -37.03 76.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.96 -20.71 66.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -100.44 -36.58 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.402 ' SD ' HG13 ' A' ' 74' ' ' VAL . 18.4 tmm? -65.93 132.49 48.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -105.18 138.99 40.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.4 tp -126.73 111.54 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -167.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -113.35 139.1 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.5 ' O ' ' C ' ' A' ' 50' ' ' SER . 23.9 t80 -116.63 135.13 54.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 175.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.5 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.6 t -26.14 102.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.851 175.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.85 -80.0 0.55 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.8 mt -97.25 131.79 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.839 0.352 . . . . 0.0 111.106 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -74.81 138.26 42.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.7 mt -91.54 66.22 5.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -170.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.69 -25.25 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -168.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -91.68 113.19 25.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.55 -30.01 68.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.802 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -96.03 -8.94 32.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -170.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -79.97 133.18 36.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.3 m-80 -76.07 155.5 34.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -169.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.8 -40.53 80.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -62.08 -40.8 97.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 177.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.98 -30.53 71.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -80.02 -18.98 48.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.02 27.52 13.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.511 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -80.98 119.09 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.953 0.406 . . . . 0.0 111.099 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.0 p -112.27 -169.9 1.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.237 -174.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.15 -6.02 53.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -113.93 13.41 18.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.5 t -53.24 126.25 20.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.869 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -109.84 114.78 28.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.828 173.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.56 HD12 HG23 ' A' ' 10' ' ' VAL . 44.3 pt -119.19 142.39 34.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.2 t -107.96 126.79 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 175.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.402 HG13 ' SD ' ' A' ' 45' ' ' MET . 56.7 t -119.84 134.28 63.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.12 -169.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -178.768 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -93.64 149.91 20.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.824 -175.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 pt -137.47 158.54 34.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 173.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -103.97 140.85 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 171.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -125.79 132.61 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.073 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -96.36 114.48 26.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.429 HG12 ' CE1' ' A' ' 12' ' ' PHE . 47.0 t -112.01 121.22 64.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -111.85 123.19 49.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 -169.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.627 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 1.2 m-85 -108.77 163.55 16.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.952 171.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 41.6 Cg_endo -63.78 -27.49 67.93 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.422 176.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 98.8 p -97.3 -26.39 14.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -175.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -167.25 151.8 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.957 -172.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -127.64 149.39 50.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 175.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -164.95 169.18 16.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -112.57 153.07 28.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.4 m -130.17 159.64 42.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -107.87 118.44 36.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 177.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 m -136.06 174.13 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 -174.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -104.57 138.45 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 176.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.79 -23.58 64.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -176.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.7 p -92.91 -8.71 42.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -79.14 156.26 28.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 173.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 60.9 p -77.73 163.16 26.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.464 HG22 ' HB3' ' A' ' 54' ' ' LEU . 9.9 p -63.57 -21.82 29.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -177.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p -66.79 -27.43 67.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.9 m -68.73 -38.8 80.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.3 tp -62.68 -40.98 98.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 172.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.59 -36.76 85.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.47 -42.89 99.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 175.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.4 -41.84 97.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.0 mt -62.69 -39.97 86.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -67.17 -34.23 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -69.73 -45.9 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.95 -45.66 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -98.38 143.8 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -85.21 63.06 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -152.16 140.0 13.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 111.185 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.08 147.47 73.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.85 -34.03 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.07 -26.26 67.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -89.19 -37.27 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' A' ' 47' ' ' LEU . 19.3 tmm? -71.75 128.89 37.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 177.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -105.42 122.33 45.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.47 ' HB2' ' SD ' ' A' ' 45' ' ' MET . 41.6 tp -118.13 119.46 34.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -172.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -138.28 148.91 45.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -126.11 137.48 53.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -173.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.3 t -38.84 129.75 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.38 -96.85 2.26 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.441 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.3 mt -94.24 128.49 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.117 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -72.61 134.86 45.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 177.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.464 ' HB3' HG22 ' A' ' 27' ' ' VAL . 62.2 mt -85.9 61.87 7.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -172.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.64 -13.6 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -173.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -101.87 110.98 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.35 -29.99 71.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -173.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -87.29 -7.36 57.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -165.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -82.02 145.96 29.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.595 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 75.2 m-80 -84.45 156.04 21.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.86 -43.54 98.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.93 -35.18 79.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 173.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -64.04 -32.36 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -77.97 -16.2 58.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.93 24.36 45.44 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.553 -174.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 92.6 mt -82.02 126.19 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.077 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.0 p -109.04 -177.57 3.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -171.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -72.71 -12.89 61.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -111.65 -3.72 14.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.6 m -68.8 140.04 55.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.54 129.9 55.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 68.6 mt -117.63 131.28 70.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -177.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.37 136.21 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -166.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.0 t -112.2 136.58 47.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.179 -176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.1 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 171.69 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -97.21 156.82 16.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.7 mt -130.11 141.02 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 172.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -95.05 136.73 35.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.3 t -123.17 131.75 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -94.92 119.93 34.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.063 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -102.09 114.58 41.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -109.48 115.98 30.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -169.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -105.43 159.82 28.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.669 0.747 . . . . 0.0 110.846 167.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -63.08 -25.1 73.29 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.754 2.303 . . . . 0.0 112.311 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -117.23 -12.38 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -171.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -157.03 165.69 35.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -151.55 141.48 22.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -157.35 163.66 38.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.8 p -114.38 150.81 34.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.16 160.21 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -112.71 126.72 55.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.47 166.84 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.513 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.8 t70 -94.33 147.76 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 172.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -68.08 -26.49 65.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -176.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.4 p -91.58 -7.13 51.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -173.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.513 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 65.9 mm-40 -79.98 154.55 28.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 177.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 81.0 p -83.53 165.02 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.072 -178.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.76 -23.57 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -61.01 -38.58 86.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 175.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -65.07 -38.31 90.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.9 tp -62.27 -43.32 99.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 175.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.6 -39.81 92.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.778 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.95 -45.93 90.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.863 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -68.82 -34.41 75.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.18 -40.01 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.023 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.592 ' O ' ' HD2' ' A' ' 35' ' ' HIS . 11.1 t-160 -64.16 -36.14 83.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.8 -39.18 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.13 -39.28 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -90.1 -179.52 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -119.82 39.42 3.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 176.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.3 t -134.93 140.06 33.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 111.2 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.58 145.34 75.94 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.0 pt -66.39 -22.99 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.107 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.84 -25.85 63.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -102.02 -36.33 8.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.7 ttp -64.21 135.23 56.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -106.82 135.9 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.8 tp -117.06 119.43 35.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -122.1 135.75 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.016 -172.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 57.7 m-85 -102.55 126.68 49.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 171.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' TYR . 40.5 t -33.88 102.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 173.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.19 -60.35 0.33 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 49' ' ' TYR . 93.2 mt -115.69 134.45 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.846 0.355 . . . . 0.0 111.108 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -91.23 111.88 23.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.7 tp -83.66 115.66 22.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.67 6.13 21.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -96.9 106.18 18.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.93 -27.31 68.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -176.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -91.04 -2.68 57.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -170.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -69.99 127.34 32.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.513 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 68.7 m-80 -78.34 149.63 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.89 -43.47 83.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -173.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -63.65 -40.36 96.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.52 -30.69 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -77.94 -24.77 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.43 39.28 6.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 169.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.3 pt -83.26 151.5 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.897 0.379 . . . . 0.0 111.05 173.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.4 p -116.54 -179.97 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -175.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.72 -28.03 65.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.779 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -106.18 19.71 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.6 t -61.21 128.38 36.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -107.08 116.57 32.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 173.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.7 mt -120.73 131.3 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -175.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -100.88 129.25 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.206 -172.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.32 130.97 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 -177.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.935 0.398 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.65 156.11 18.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 175.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.7 pt -128.46 156.98 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -119.84 139.9 51.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.04 149.34 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -91.08 116.86 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.18 114.48 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -106.99 118.38 36.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -169.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 72.4 m-85 -106.05 156.95 35.88 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.644 0.735 . . . . 0.0 110.894 165.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.2 -24.99 76.64 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.4 p -99.2 -25.0 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 63.8 pttt -165.53 160.8 18.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -174.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -131.61 150.63 52.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -157.66 161.31 38.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -102.54 150.0 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.097 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.9 t -127.73 140.7 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.068 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -95.97 116.35 28.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.926 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.9 m -134.99 170.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 -175.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.408 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.9 t0 -108.21 145.22 34.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 173.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -65.05 -25.15 67.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.8 p -92.44 -7.04 48.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 56.8 mm-40 -79.09 155.83 28.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 176.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 74.8 p -84.77 165.01 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -177.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.45 -29.94 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.436 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 73.8 p -60.03 -30.04 68.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.82 -179.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 m -67.98 -40.1 83.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.76 -41.04 96.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 173.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.4 -44.78 89.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.948 177.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -57.1 -45.04 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -63.33 -39.25 94.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.97 -41.96 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -66.95 -29.14 68.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.65 -39.25 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.4 t -79.09 -44.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.074 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -126.33 110.7 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -76.26 70.11 2.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.955 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 99.8 m -131.78 134.27 25.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.541 0.686 . . . . 0.0 111.201 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 87.5 Cg_exo -54.06 138.9 71.24 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.602 2.202 . . . . 0.0 112.42 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.6 tp -67.22 -23.56 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.77 -23.1 67.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -100.68 -37.53 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.1 mtp -74.9 144.96 43.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.401 ' HB3' ' HB2' ' A' ' 75' ' ' PHE . 66.5 tt0 -108.36 131.18 55.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 176.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.4 tp -114.61 106.32 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -115.19 137.31 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 30.4 t80 -114.04 139.31 49.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 174.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.0 t -28.22 102.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 175.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.87 -73.6 0.63 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.499 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.4 mt -100.18 131.32 47.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.793 0.33 . . . . 0.0 111.127 -175.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -74.79 135.96 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 172.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.41 69.7 10.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.968 -170.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.12 -35.05 71.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -173.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -95.11 109.73 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -170.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' A' ' 28' ' ' SER . 92.0 m-20 -67.19 -29.99 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -176.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -92.53 -5.78 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 -171.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -78.48 140.33 38.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.805 174.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 97.8 m-20 -74.98 151.03 38.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -173.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.21 -40.2 93.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -64.28 -39.18 93.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.79 -30.82 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -78.38 -19.96 52.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 176.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.57 30.32 19.02 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -177.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 49' ' ' TYR . 96.5 mt -86.61 122.29 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 111.089 -175.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.6 p -104.54 176.48 5.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -88.33 -0.6 57.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -111.24 -29.87 7.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.1 p -74.09 167.66 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -116.9 145.49 43.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.797 -167.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 90.6 mt -116.7 125.18 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.7 t -106.98 124.97 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -174.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.9 t -122.37 129.53 75.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 -175.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.401 ' HB2' ' HB3' ' A' ' 46' ' ' GLN . 92.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.859 0.362 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.62 144.1 33.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.5 pt -136.47 153.52 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.195 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -102.93 149.22 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.7 t -126.58 132.08 70.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.9 m -88.84 119.01 28.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.174 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.531 HG23 HD12 ' A' ' 72' ' ' ILE . 42.1 t -100.14 114.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -174.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.77 115.46 30.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.989 -175.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.427 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 94.5 m-85 -105.54 159.62 28.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.738 . . . . 0.0 110.886 164.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 21.4 Cg_endo -60.99 -26.97 84.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.227 -178.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -121.37 -8.07 9.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.843 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -145.14 148.79 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -172.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -141.04 146.13 36.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -167.76 165.54 14.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.8 p -111.37 150.04 30.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.188 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.81 157.75 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -112.26 124.21 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.9 m -135.07 168.19 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.159 -177.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -90.4 144.93 25.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -65.18 -33.52 76.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.7 p -90.11 -6.44 55.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -172.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -79.93 158.77 26.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 66.9 p -86.47 169.42 12.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.04 -22.38 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.9 p -65.74 -30.58 71.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.2 m -72.28 -36.75 69.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.436 HD22 HD11 ' A' ' 72' ' ' ILE . 61.7 tp -61.82 -39.64 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.848 170.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.0 -36.85 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 176.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -58.49 -45.31 88.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.816 177.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -63.35 -39.62 95.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.64 -41.41 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -66.16 -36.12 82.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.92 -42.53 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.08 -40.06 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -94.96 -178.85 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -175.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -118.16 24.91 10.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.7 m -115.74 128.5 25.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.504 0.668 . . . . 0.0 111.108 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -53.08 143.4 50.87 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.743 2.295 . . . . 0.0 112.317 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.07 -35.14 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.93 -22.75 66.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -99.57 -37.68 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.28 133.54 51.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -107.03 138.32 43.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.53 118.52 28.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -171.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -123.35 141.79 51.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.926 175.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.456 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.9 t80 -115.77 136.73 52.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.6 t -30.83 103.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.844 175.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.38 -82.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.0 mt -95.13 129.88 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.338 . . . . 0.0 111.095 -176.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -74.12 133.12 42.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.6 mt -85.16 64.6 8.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.963 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.49 -24.85 22.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -169.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -90.63 111.32 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -172.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.33 -28.95 68.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -173.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -94.19 -8.46 39.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -172.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -82.28 135.06 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-20 -79.13 156.69 28.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -170.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.41 -41.48 93.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -60.96 -41.74 96.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.77 -30.7 71.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.74 -19.92 47.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.937 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.08 29.65 14.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.488 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.1 mm -81.86 123.3 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.391 . . . . 0.0 111.124 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.1 p -110.23 -177.38 3.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -174.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.88 -25.04 67.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -112.9 5.61 17.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -170.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 m -65.45 139.44 58.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.818 -176.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -112.31 129.82 56.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.531 HD12 HG23 ' A' ' 10' ' ' VAL . 46.2 pt -117.15 143.75 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.43 125.27 62.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -121.3 135.86 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -170.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.985 -178.237 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.767 0.318 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.73 64.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 175.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.6 t -125.26 135.37 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.071 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -96.1 -17.29 21.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -172.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -98.9 150.02 22.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.402 HD13 HG22 ' A' ' 66' ' ' ILE . 36.6 pt -136.36 151.75 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 177.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -105.36 143.49 33.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.92 134.87 65.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.3 m -91.87 116.9 29.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.9 t -104.8 116.13 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -104.93 122.93 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -108.67 157.41 36.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.871 166.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -60.81 -25.62 81.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -103.89 -24.31 13.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -175.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -159.96 163.15 34.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -172.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -130.91 152.52 50.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -160.07 150.73 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.1 p -111.59 147.9 34.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -130.0 158.87 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -112.05 123.38 50.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.11 171.83 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.9 t70 -98.99 144.04 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 176.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' ' 62' ' ' ASN . 37.7 ptt180 -67.71 -26.81 66.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -174.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.1 p -88.29 -9.01 54.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -175.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.456 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 67.7 mm-40 -80.03 155.68 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 175.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 78.5 p -83.39 164.98 19.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.184 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.38 -23.53 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.1 p -65.0 -29.86 70.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -71.44 -36.25 71.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.8 tp -62.39 -40.81 97.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.953 170.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.91 -34.56 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -58.35 -44.64 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -64.44 -40.79 96.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.3 -40.09 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -66.14 -36.72 83.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.99 -40.36 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.07 -38.87 56.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -96.59 -178.21 4.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -174.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -117.03 22.99 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.2 m -116.3 131.95 23.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 111.141 -176.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.12 145.2 93.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.34 -35.45 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -175.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.6 -20.82 65.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HB3' ' HB2' ' A' ' 77' ' ' LYS . 40.0 mmt180 -100.0 -38.19 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.842 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 73.3 mtm -60.06 136.52 58.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -109.99 143.88 39.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 175.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 tt -127.19 122.87 35.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.987 -172.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -119.27 131.42 55.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' O ' ' C ' ' A' ' 50' ' ' SER . 43.1 t80 -103.49 135.53 44.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.949 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.491 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.1 t -28.54 103.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 175.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.53 -73.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 174.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.4 mt -104.41 133.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 111.129 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -90.88 112.91 24.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 64' ' ' TYR . 63.8 tp -81.79 111.47 18.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.97 1.9 40.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -96.4 108.6 21.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.25 -29.7 70.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -92.59 -2.27 56.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -169.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -70.21 129.17 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 176.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.553 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 70.8 m-80 -76.06 147.41 38.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.57 -46.95 80.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 46.5 t30 -63.19 -41.89 99.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.9 -25.25 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 54' ' ' LEU . 54.9 t80 -89.8 -18.91 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.03 27.32 7.44 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.46 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 6' ' ' ILE . 49.4 mm -84.73 122.01 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 0.0 111.058 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.6 p -113.77 -168.76 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -78.62 -4.03 46.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -114.15 10.47 17.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -55.99 128.5 35.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 -174.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -109.16 111.23 22.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.41 127.02 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -99.17 125.26 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.0 t -117.35 131.69 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.036 -171.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -111.54 137.89 48.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.3 mt -104.5 132.77 50.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 75.1 mmtt -95.18 153.63 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.8 t -63.02 121.4 13.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.7 pp -135.01 -178.78 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.085 -176.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -117.07 104.05 10.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -111.52 39.09 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.95 149.86 47.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 54.92 38.94 31.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 177.647 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.769 0.319 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.06 108.73 19.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.4 t -126.3 106.26 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 64.71 24.11 12.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.51 143.89 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.4 pt -136.6 151.9 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -101.89 146.32 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.0 t -125.87 131.85 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 100.0 m -89.28 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.538 HG23 HD12 ' A' ' 72' ' ' ILE . 44.8 t -97.74 114.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -177.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.9 mttt -104.95 118.77 37.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -175.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.29 163.25 17.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.591 0.71 . . . . 0.0 110.839 165.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -53.64 -35.57 78.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.632 2.222 . . . . 0.0 112.271 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p -122.09 -5.66 8.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -168.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -157.9 162.0 38.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -172.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 83.8 mt-30 -142.04 150.6 41.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -139.34 156.5 46.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.4 m -106.38 136.5 46.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.227 172.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.9 m -128.52 158.04 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.08 177.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -118.44 127.42 53.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.49 171.01 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 -177.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -94.49 144.54 25.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -65.93 -34.47 78.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -88.97 -6.74 57.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.038 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -78.65 156.93 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.941 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 75.6 p -86.01 171.1 11.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.12 -30.79 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -58.83 -29.56 66.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -72.0 -39.76 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 173.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.07 -47.42 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -69.24 -35.37 76.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.915 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.35 -44.28 88.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.812 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -69.89 -37.6 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.58 -37.58 78.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 171.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -66.38 -38.47 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.76 -39.83 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 176.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.79 -40.28 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -97.58 -178.13 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -175.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -115.84 23.02 12.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.6 m -109.58 128.76 24.84 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.619 0.723 . . . . 0.0 111.074 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.41 143.4 54.74 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.763 2.309 . . . . 0.0 112.287 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.5 mt -59.06 -37.7 69.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.45 -20.93 66.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -100.96 -34.84 9.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -69.91 133.39 47.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -106.51 134.41 49.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.0 tp -119.69 114.99 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -173.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -116.55 141.5 48.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.501 ' O ' ' C ' ' A' ' 50' ' ' SER . 18.4 t80 -116.9 134.08 55.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.3 t -24.79 102.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 172.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.35 -79.6 0.59 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.2 mt -98.24 131.43 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.189 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -76.55 138.23 40.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.9 mt -89.47 65.38 7.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -170.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.63 -20.31 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -169.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -92.19 114.3 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.81 -35.87 82.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.813 -175.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -95.69 -8.63 34.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -166.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -79.34 134.64 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.858 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.498 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 71.8 m-80 -77.92 154.18 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -170.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.09 -41.93 84.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.02 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -58.88 -42.6 89.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.99 -29.72 69.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -176.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -78.69 -19.92 51.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.52 28.33 13.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -175.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -80.1 111.92 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 111.145 -178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.1 p -102.64 -177.99 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -172.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.11 -17.09 64.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -112.19 18.62 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.9 t -52.09 130.16 29.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -111.72 114.47 27.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 172.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 10' ' ' VAL . 43.2 pt -120.14 143.65 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 -177.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.6 t -109.04 129.2 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.3 t -120.33 130.58 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -172.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -112.44 135.77 52.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.8 mt -104.7 132.89 50.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 -173.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.91 70.9 1.35 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.7 p -159.33 161.54 35.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 171.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.5 mt -114.85 -47.61 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.97 159.05 33.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -115.77 161.46 18.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.804 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.09 148.59 22.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.31 -63.81 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 177.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 176.337 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.801 0.334 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.68 111.83 20.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.4 t -129.31 107.96 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.054 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 64.96 23.71 12.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -176.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -105.02 139.13 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 pt -137.12 154.11 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -112.03 130.69 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 170.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.9 t -109.64 134.5 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.096 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.1 m -86.09 118.71 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG23 HD12 ' A' ' 72' ' ' ILE . 48.1 t -97.45 114.92 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -178.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -108.46 115.58 30.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -104.61 163.4 17.31 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 165.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.84 -33.51 81.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.749 2.3 . . . . 0.0 112.303 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -125.62 -6.1 6.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -172.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -140.89 147.44 38.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -172.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -140.63 146.16 37.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 176.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -168.01 166.04 13.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.9 p -111.11 149.18 31.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.253 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.1 156.08 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.094 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -109.21 123.54 49.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -176.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.37 168.09 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.165 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 8.8 t70 -98.84 148.79 23.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -64.49 -31.15 72.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -86.59 -5.26 59.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.065 -174.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.429 ' HG3' ' HB3' ' A' ' 22' ' ' ASP . 95.5 mt-10 -84.75 157.93 20.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.979 0.419 . . . . 0.0 110.846 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 29.5 p -85.66 176.06 8.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 173.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' A' ' 54' ' ' LEU . 19.9 m -65.33 -15.15 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 176.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -55.23 -45.31 75.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.2 p -71.38 -33.98 70.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.442 HD22 HD11 ' A' ' 72' ' ' ILE . 58.7 tp -64.22 -41.57 96.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -71.53 -34.09 69.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -57.31 -46.49 83.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -63.39 -42.13 98.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.92 -40.03 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -67.05 -36.03 81.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.96 -43.69 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.051 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.9 t -73.43 -39.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -94.89 -178.97 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.975 -175.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -116.67 21.23 13.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.8 m -112.93 129.5 24.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.562 0.696 . . . . 0.0 111.058 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.23 144.29 48.86 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.38 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.77 -36.62 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.95 -21.06 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.09 -37.7 8.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.7 tmm? -65.59 133.59 51.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -106.03 136.95 44.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.401 ' HG ' HD12 ' A' ' 54' ' ' LEU . 43.3 tp -125.72 112.8 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -170.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -114.65 138.9 50.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.502 ' O ' ' C ' ' A' ' 50' ' ' SER . 36.8 t80 -115.64 136.2 53.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 174.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.7 t -25.94 102.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 173.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.89 -76.68 0.53 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.4 mt -96.04 129.27 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.32 134.59 42.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 171.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HB3' HG11 ' A' ' 27' ' ' VAL . 70.4 mt -90.09 67.58 7.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -169.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.7 -19.38 19.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -166.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -94.47 109.62 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.65 -32.33 73.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.761 -169.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -93.45 -7.17 45.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -170.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -76.61 133.34 39.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.49 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-80 -77.28 153.53 33.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -170.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.62 -38.77 75.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -61.6 -39.6 91.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 176.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -67.98 -29.97 69.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -75.36 -19.93 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.91 29.77 16.94 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.445 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.4 mm -79.44 116.75 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 0.0 111.131 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -104.59 -179.44 3.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.155 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.91 -30.72 66.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -109.71 16.35 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -59.5 132.43 53.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -110.94 128.27 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.535 HD12 HG23 ' A' ' 10' ' ' VAL . 38.0 pt -118.65 143.48 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 -177.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -108.41 126.16 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.1 t -122.11 135.08 63.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -168.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -117.27 140.38 49.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.933 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.5 mt -101.57 134.74 44.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -124.25 69.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.0 p -163.37 163.34 25.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 174.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 94.4 mt -115.59 -49.73 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.04 154.69 41.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -111.41 155.75 22.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.91 151.16 30.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.93 -62.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.4 t0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 173.578 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.036 0 CA-C-O 120.809 0.338 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.12 174.68 11.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.31 -19.26 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -90.07 77.35 6.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.796 -171.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -95.48 141.19 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.82 -171.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 pt -136.55 150.82 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -95.88 134.75 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.767 175.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.2 t -115.21 129.3 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 172.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.7 m -90.35 115.75 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.141 171.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.5 t -100.17 117.09 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 -176.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -104.11 121.4 43.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -173.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.0 158.8 31.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 163.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -58.17 -31.95 94.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -102.86 -26.97 12.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -144.55 160.57 40.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -168.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -134.2 148.1 50.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -140.0 154.52 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.3 m -103.17 133.63 47.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.186 168.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.9 t -127.5 142.72 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.158 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -108.14 118.61 37.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 m -137.24 177.19 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 -172.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -115.39 137.21 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.885 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -66.96 -20.13 65.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -172.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.3 p -89.98 -11.57 41.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -85.79 158.63 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 173.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 60.6 p -84.95 172.69 11.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.22 -22.14 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.4 p -64.77 -31.28 72.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -66.6 -42.07 87.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.762 172.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.63 -39.64 92.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 174.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.71 -42.2 97.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.31 -45.01 88.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.34 -40.44 85.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.998 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.48 -38.46 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -68.19 -36.27 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.6 mt -67.86 -45.0 84.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.7 t -74.22 -50.61 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 -174.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -97.55 145.53 26.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -84.85 74.19 10.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 8.8 t -155.47 136.61 9.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 111.154 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 51.0 Cg_exo -58.24 143.48 97.06 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.33 -36.26 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.78 -24.98 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -91.37 -27.11 18.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -175.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -89.95 133.55 34.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -110.06 128.46 55.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.411 ' HG ' HD12 ' A' ' 54' ' ' LEU . 38.5 tp -109.22 114.79 28.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -171.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -135.77 159.66 40.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -139.91 134.78 32.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -166.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -38.47 130.03 1.35 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.16 -98.18 2.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.8 mt -93.52 126.52 45.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 111.134 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.32 138.8 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.411 HD12 ' HG ' ' A' ' 47' ' ' LEU . 50.2 mt -85.69 60.05 6.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -166.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.84 -16.9 34.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.005 -170.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -97.26 105.21 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.83 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -65.12 -26.43 68.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.24 -7.37 48.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -171.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -83.42 136.88 34.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.847 176.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 76.0 m-20 -81.13 155.58 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.73 -41.43 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -62.93 -38.51 91.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.77 -23.96 63.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -78.55 -17.27 56.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.77 22.23 56.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.6 mt -83.68 130.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.156 -174.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.2 p -108.0 178.67 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.174 -171.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -77.4 -3.37 39.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.818 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -112.55 -7.45 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.3 m -66.35 146.44 54.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -176.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -117.59 129.8 56.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 174.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.1 mt -117.38 132.75 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.6 t -110.03 139.2 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 -165.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -110.68 131.9 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -104.23 131.89 51.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.8 mt -101.81 130.17 48.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 -169.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -53.2 128.73 28.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.85 166.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 93.6 p -83.94 164.98 19.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -167.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 79' ' ' ILE . 21.4 mt 57.55 44.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -100.38 -170.03 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -144.0 129.95 19.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -158.39 162.0 37.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -97.89 159.61 14.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.8 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.8 -178.114 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.92 178.53 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.73 -30.07 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.41 ' HB3' ' HD3' ' A' ' 23' ' ' ARG . 99.1 mtt180 -86.16 79.16 9.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -171.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -99.29 153.88 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 pt -140.07 150.19 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 171.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -97.48 126.14 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.797 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.8 t -114.15 124.93 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.1 m -89.96 116.1 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.3 t -96.92 117.68 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -107.88 121.85 45.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -113.77 156.49 43.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.708 . . . . 0.0 110.974 163.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -61.26 -24.16 78.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.411 173.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 99.2 p -91.79 -31.2 15.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -165.55 157.43 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.964 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -129.3 149.84 50.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 176.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -159.27 163.02 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -120.2 141.39 49.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.0 m -126.97 160.13 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.071 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -107.63 119.34 39.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.93 167.97 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -104.37 128.75 52.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HD3' ' HB3' ' A' ' 4' ' ' ARG . 13.3 ptm180 -69.19 -22.33 63.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -171.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.6 p -91.05 -8.48 48.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -85.74 163.61 18.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 170.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 80.7 p -79.69 165.96 22.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 54' ' ' LEU . 8.9 p -64.89 -19.89 26.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -62.71 -26.26 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -176.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 m -66.2 -40.94 90.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.33 -39.93 94.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 174.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.16 -40.01 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -58.35 -45.54 87.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 173.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.41 -40.76 95.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.82 -40.8 90.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -66.07 -34.59 78.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.21 -47.1 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.3 t -81.28 -40.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 5.8 tp10 -100.01 145.28 28.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -176.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -88.24 71.01 9.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.8 m -155.81 125.49 3.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.182 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -52.09 141.54 47.47 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.426 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.7 mt -60.86 -37.75 77.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.966 0.412 . . . . 0.0 111.127 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -68.43 -19.58 64.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -102.15 -33.9 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -63.82 130.08 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -101.27 126.13 47.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' A' ' 54' ' ' LEU . 67.3 tp -120.31 116.54 25.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -174.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -134.27 154.19 51.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -143.47 136.83 28.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -173.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.2 t -38.3 128.63 1.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 174.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.23 -99.26 2.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.505 -172.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.3 mt -94.03 127.31 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 0.0 111.153 -177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.56 135.6 50.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.433 ' HB3' HG22 ' A' ' 27' ' ' VAL . 46.7 mt -84.03 63.61 7.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -170.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.22 -8.05 15.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 -173.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -93.68 105.59 17.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -65.47 -26.74 68.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -91.93 -11.48 36.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -171.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -79.96 134.75 36.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 76.4 m-20 -79.91 156.28 27.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 -176.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 99.3 mt -58.18 -38.97 77.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -64.37 -39.32 93.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.57 -25.98 65.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -75.28 -21.61 58.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 174.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.52 24.89 44.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -87.19 130.97 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.346 . . . . 0.0 111.174 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.6 p -107.87 177.0 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 -171.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -76.33 -5.43 47.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.801 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -110.41 -8.2 14.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 m -63.39 130.13 43.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -108.44 127.0 53.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 174.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.76 124.86 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -173.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.3 t -94.9 128.9 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.1 t -116.34 135.51 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -108.16 135.82 48.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.837 -174.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.8 mt -103.05 131.91 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -174.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -68.43 134.99 51.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 169.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.0 p -79.73 169.15 18.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -170.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.724 HG22 ' O ' ' A' ' 79' ' ' ILE . 61.9 mt 44.02 45.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -85.05 -175.72 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -148.1 130.03 15.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.86 159.9 37.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -96.63 164.71 12.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.3 t0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.162 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.735 0.302 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.81 108.8 18.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.053 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 73.4 t -127.0 107.88 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 65.43 19.8 11.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.832 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -103.7 139.94 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.416 HD13 HG22 ' A' ' 66' ' ' ILE . 45.2 pt -136.96 155.3 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -108.13 144.78 35.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 170.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.6 t -123.13 134.32 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -88.44 119.7 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.534 HG23 HD12 ' A' ' 72' ' ' ILE . 46.3 t -100.58 115.85 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 -175.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 96.0 mttt -104.95 117.55 34.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -176.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -109.8 158.25 35.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 162.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.41 -26.33 76.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.227 . . . . 0.0 112.288 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.0 p -105.59 -20.02 13.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -174.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -158.12 160.21 37.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -172.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 82.6 mt-30 -139.81 150.0 44.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 172.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -164.31 166.56 20.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.5 p -111.12 150.02 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.158 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.6 m -128.54 155.75 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -109.38 121.35 45.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.25 170.41 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -100.28 141.07 33.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 176.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -66.25 -25.09 66.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -175.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.0 p -92.04 -7.62 48.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -79.29 157.6 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 67.3 p -83.74 167.48 17.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -174.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.19 -33.61 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 p -62.12 -29.09 70.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.6 m -71.29 -39.32 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.1 -40.43 97.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 173.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.09 -37.92 89.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.2 -43.61 92.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -62.31 -40.98 98.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.0 -40.23 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 172.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -66.58 -34.42 77.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.8 -42.65 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.069 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.3 t -76.05 -39.98 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -94.65 179.95 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -173.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -115.72 21.79 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -114.72 129.78 24.69 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -53.69 144.98 51.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 0.0 112.357 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.56 -36.85 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.53 -21.75 65.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.948 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -99.81 -37.68 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -64.99 134.31 53.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -106.28 138.6 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.6 tp -127.92 119.04 24.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -119.35 142.45 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' C ' ' A' ' 50' ' ' SER . 18.4 t80 -115.06 134.77 54.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.9 t -29.54 103.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.774 176.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.79 -84.57 0.73 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.3 mt -93.82 129.06 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 111.141 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.39 135.67 45.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.33 61.61 6.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.25 -36.43 77.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -171.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -85.45 113.26 21.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -171.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -64.75 -34.5 78.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -97.05 -6.93 34.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -166.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -74.37 141.54 45.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 98.4 m-20 -74.83 149.45 39.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -174.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 97.0 mt -60.3 -42.81 96.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -60.45 -37.61 81.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.779 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -67.33 -29.92 69.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -177.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -80.67 -19.96 44.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.53 27.17 8.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.462 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.416 HG22 HD13 ' A' ' 6' ' ' ILE . 39.6 mm -79.9 116.54 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.975 0.417 . . . . 0.0 111.117 178.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.7 p -107.48 -177.36 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 -173.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.73 -15.9 63.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -110.47 16.84 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.1 t -55.38 133.87 49.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -121.7 118.09 28.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.534 HD12 HG23 ' A' ' 10' ' ' VAL . 47.3 pt -119.08 142.92 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -176.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.9 t -107.7 126.1 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.73 135.14 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 -168.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -117.39 141.55 48.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.1 mt -100.78 136.19 41.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -126.56 65.64 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.0 p -159.68 160.44 34.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 94.8 mt -108.5 -55.09 5.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -71.21 149.99 45.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.59 157.74 16.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.12 150.26 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.18 -62.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.5 t0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 173.684 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.726 0.298 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.34 110.84 22.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.072 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.9 t -125.47 108.62 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 65.04 25.09 12.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.83 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -105.01 143.44 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 174.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.425 HD13 HG22 ' A' ' 66' ' ' ILE . 42.6 pt -137.14 153.31 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -178.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -105.0 146.11 29.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 173.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.5 t -123.61 131.8 72.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.7 m -87.77 120.38 29.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.509 HG23 HD12 ' A' ' 72' ' ' ILE . 44.6 t -99.81 113.87 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 -177.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -105.91 115.43 30.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -174.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -105.22 157.96 33.19 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.927 164.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -62.1 -24.93 76.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -107.46 -19.99 13.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -174.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -157.25 160.1 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.87 -172.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -138.93 148.9 44.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -162.62 165.13 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -111.2 150.28 29.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.199 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.82 158.46 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -111.95 124.65 52.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.01 170.73 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.509 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.9 t70 -94.78 146.61 24.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -65.13 -33.18 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.3 p -89.44 -7.68 54.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 -172.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.509 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 64.4 mm-40 -78.7 156.63 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.917 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 74.4 p -85.03 170.0 13.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.36 -19.84 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -62.32 -29.82 70.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.3 m -73.94 -37.56 64.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 173.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.6 tp -65.07 -46.33 81.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -69.09 -31.59 70.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.4 -43.62 83.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.874 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -62.83 -41.36 99.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.23 -40.96 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 175.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -66.51 -36.63 83.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.0 -43.2 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.3 t -72.83 -40.06 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -94.44 -179.9 5.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -175.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -115.8 20.96 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.4 m -110.7 129.33 24.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.532 0.682 . . . . 0.0 111.114 -176.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -53.28 142.87 55.39 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.774 2.316 . . . . 0.0 112.341 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.3 mt -58.78 -37.32 65.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.48 -21.73 66.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -99.91 -35.97 9.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -65.27 132.46 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -103.92 134.93 46.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.5 tp -124.48 117.91 25.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -170.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -123.23 141.63 51.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.462 ' O ' ' C ' ' A' ' 50' ' ' SER . 17.5 t80 -115.54 135.31 54.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.6 t -31.06 103.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.78 -81.63 0.58 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.519 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.8 mt -95.8 128.5 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.074 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.46 136.08 42.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.868 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.8 mt -85.02 61.91 7.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.02 -36.86 24.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 -167.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -91.8 125.82 36.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -169.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -70.07 -36.75 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -78.25 -12.45 60.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -170.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -80.02 140.02 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-80 -82.49 156.91 23.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -176.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.29 -41.62 84.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.024 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -61.64 -38.81 89.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.11 -29.1 69.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -80.74 -18.58 47.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.867 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.76 27.37 17.11 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -173.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.425 HG22 HD13 ' A' ' 6' ' ' ILE . 35.0 mm -79.24 116.87 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.922 0.392 . . . . 0.0 111.167 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.0 p -110.58 -179.14 3.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 -175.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.05 -23.73 62.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -108.41 16.8 22.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -175.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.4 t -55.95 135.45 52.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -120.51 116.95 26.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.883 174.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.509 HD12 HG23 ' A' ' 10' ' ' VAL . 46.9 pt -116.54 143.4 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.76 126.32 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.97 134.87 65.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -117.16 141.75 47.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.875 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.6 mt -102.19 134.93 44.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -124.77 70.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.4 p -163.19 162.14 25.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.913 175.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.5 mt -115.33 -48.56 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 175.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.62 152.14 45.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -108.93 156.11 20.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.11 151.6 30.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.094 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.0 -63.3 1.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 175.641 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.755 0.312 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.23 108.17 18.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.1 t -126.03 108.95 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 64.97 26.1 12.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -105.56 146.85 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 173.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 pt -137.31 154.42 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -112.09 140.35 46.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.0 t -116.85 134.73 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.5 m -86.1 118.08 25.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.54 HG23 HD12 ' A' ' 72' ' ' ILE . 52.3 t -96.66 114.99 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 97.8 mttt -105.91 114.46 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.417 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 95.0 m-85 -104.93 159.41 29.44 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.656 0.741 . . . . 0.0 110.894 161.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 27.4 Cg_endo -61.26 -24.96 79.86 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.725 2.284 . . . . 0.0 112.275 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.7 p -117.76 -13.06 10.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -173.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -151.0 151.64 32.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 82.2 mt-30 -138.92 149.51 44.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 171.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -164.94 164.97 20.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.7 m -110.63 141.1 44.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.22 -175.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.6 m -124.4 153.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -108.71 125.06 51.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -176.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.1 m -136.59 169.03 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.471 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 9.7 t70 -96.51 151.73 19.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 178.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -63.45 -35.22 79.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -86.58 -5.13 59.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 -172.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.471 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 55.2 mm-40 -82.59 157.99 23.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.917 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 66.0 p -87.86 172.26 9.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 m -66.22 -24.9 34.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -66.55 -29.43 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.8 m -71.43 -38.97 71.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 172.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD22 HD11 ' A' ' 72' ' ' ILE . 62.7 tp -62.4 -40.35 96.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 171.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -66.82 -36.97 83.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.4 -43.56 92.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 175.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -61.89 -41.27 97.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.76 -40.26 87.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -65.89 -35.29 80.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.833 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.31 -42.48 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.09 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.7 t -74.98 -40.0 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -92.95 179.94 5.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -115.68 20.57 14.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.0 m -113.15 129.65 24.34 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.541 0.686 . . . . 0.0 111.109 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.53 144.9 49.67 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.633 2.222 . . . . 0.0 112.404 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 95.6 mt -59.77 -37.32 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.91 -20.81 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -99.98 -37.97 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.08 134.86 54.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -106.51 136.72 45.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.5 tp -124.74 115.3 20.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -171.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -114.17 137.63 51.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' SER . 34.6 t80 -115.0 136.27 53.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 175.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.1 t -23.7 102.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.807 173.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.11 -75.06 0.6 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.4 mt -98.95 131.03 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.123 -173.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -76.29 135.73 39.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 172.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 66.4 mt -93.7 70.24 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -170.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.61 -15.27 19.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -169.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 95.1 m-20 -101.71 116.11 32.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -177.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -75.95 -29.36 58.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -174.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -78.13 -11.96 59.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -175.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -85.16 137.36 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 20.1 p30 -95.81 166.33 11.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -172.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.407 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 91.6 mt -58.54 -37.16 75.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -174.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.1 -37.05 86.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.18 -28.0 68.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.4 ' OH ' ' HB2' ' A' ' 56' ' ' ASP . 46.4 m-85 -89.35 -7.26 55.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 -175.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.08 32.45 35.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -176.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.407 ' HB ' ' HB3' ' A' ' 61' ' ' LEU . 41.1 mm -76.77 111.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.962 0.411 . . . . 0.0 111.115 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.9 p -105.09 -178.47 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.206 -172.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.49 -26.04 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -110.37 22.94 14.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -173.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.7 t -53.99 129.8 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -176.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -113.4 116.3 29.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 174.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.54 HD12 HG23 ' A' ' 10' ' ' VAL . 40.0 pt -119.19 142.65 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.4 t -109.0 126.87 66.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.0 t -121.08 135.13 62.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -168.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -118.19 141.2 48.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.1 mt -101.88 135.82 42.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -125.54 67.87 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.6 p -162.45 160.14 25.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 174.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.0 mt -109.6 -53.28 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.79 158.34 30.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -116.0 167.05 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.36 154.7 30.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.051 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.86 -61.74 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 175.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 173.774 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.765 0.317 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.19 110.36 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.08 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 75.5 t -125.8 108.94 20.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 65.11 25.57 12.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -105.35 144.08 32.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.409 HD13 HG22 ' A' ' 66' ' ' ILE . 43.8 pt -136.55 154.4 32.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -103.93 149.5 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 172.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.18 130.01 73.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -87.53 120.06 28.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.537 HG23 HD12 ' A' ' 72' ' ' ILE . 42.4 t -99.8 114.57 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.164 -177.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.79 115.58 30.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -175.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.404 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 89.4 m-85 -104.36 159.48 29.17 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 162.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 25.6 Cg_endo -61.33 -25.3 80.09 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.666 2.244 . . . . 0.0 112.298 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.1 p -120.7 -11.33 9.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -144.53 149.69 36.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -172.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -140.01 146.31 38.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -165.0 164.82 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 173.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.2 p -113.02 149.98 32.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.164 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.73 158.29 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -112.29 124.15 51.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.2 m -137.04 170.74 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -92.75 146.56 23.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -65.36 -32.63 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -89.8 -5.21 57.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.157 -173.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -79.95 158.95 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.0 p -89.53 168.61 12.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.235 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -65.12 -19.99 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.4 p -61.96 -30.16 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.1 m -75.06 -37.4 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 172.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.88 -45.37 86.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -68.74 -31.57 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -58.53 -43.78 89.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 173.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -62.04 -41.35 98.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.59 -41.85 91.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -67.87 -35.66 78.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.08 -42.93 95.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.2 t -71.98 -40.55 67.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -95.04 -175.6 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -175.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.473 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 49.8 p30 -124.2 22.59 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -177.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.7 m -113.24 130.45 23.62 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.544 0.687 . . . . 0.0 111.143 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -54.09 143.76 61.09 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.65 -35.75 61.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.11 -21.82 66.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.12 -26.37 14.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.974 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -76.21 133.24 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.407 ' HB3' ' HB2' ' A' ' 75' ' ' PHE . 66.1 tt0 -106.33 133.4 51.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 175.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.8 tp -119.82 110.62 16.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -170.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -116.07 138.88 50.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.475 ' O ' ' C ' ' A' ' 50' ' ' SER . 24.0 t80 -115.02 137.15 52.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 175.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.9 t -28.79 103.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.814 175.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.24 -79.57 0.52 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.57 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.2 mt -96.79 131.02 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.1 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -74.34 134.41 42.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 173.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.0 mt -85.78 64.15 8.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -172.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.98 -29.68 19.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 -167.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -93.93 118.85 32.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -170.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -68.76 -35.62 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -174.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -78.24 -12.65 60.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -80.11 139.71 36.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -83.82 157.29 22.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.82 -41.14 86.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -61.36 -39.08 89.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.33 -27.73 67.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -79.98 -18.65 49.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.33 29.12 15.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.455 -173.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.409 HG22 HD13 ' A' ' 6' ' ' ILE . 27.9 mm -79.78 114.39 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 111.063 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.0 p -103.92 178.65 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.04 -27.04 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -110.09 19.3 19.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -175.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 88.6 p -56.21 145.46 26.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -126.26 118.35 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.537 HD12 HG23 ' A' ' 10' ' ' VAL . 45.3 pt -115.94 143.29 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.2 t -108.69 127.11 65.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.21 130.82 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -170.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.407 ' HB2' ' HB3' ' A' ' 46' ' ' GLN . 89.6 m-85 -112.97 141.44 46.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.959 -176.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.4 mt -105.45 134.98 47.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -120.93 71.48 0.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 170.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.0 p -152.76 148.23 26.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.902 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.0 mt -105.84 -56.06 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.15 157.19 26.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -113.48 174.97 5.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' HB1' ' HB2' ' A' ' 39' ' ' ASN . . . -155.64 153.23 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.037 178.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.92 -64.08 0.99 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 177.251 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.769 0.318 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.81 117.12 24.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.053 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 72.3 t -132.07 109.7 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 64.98 23.56 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -175.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -103.41 134.9 46.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.3 pt -137.59 152.82 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 175.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -105.43 144.64 31.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 171.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.88 130.64 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.097 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.6 m -86.11 119.71 26.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.531 HG23 HD12 ' A' ' 72' ' ' ILE . 39.8 t -97.61 114.22 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -177.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -105.44 116.27 31.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -175.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.415 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 89.5 m-85 -106.28 160.06 27.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.663 0.744 . . . . 0.0 110.939 163.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 31.2 Cg_endo -62.49 -25.55 75.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.257 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p -115.74 -15.16 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.982 0.42 . . . . 0.0 110.821 -172.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -152.89 160.86 43.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.888 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -141.53 149.47 40.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 172.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -162.8 165.07 25.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -111.25 150.09 30.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -175.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.97 158.62 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 175.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -114.19 122.87 48.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.09 168.74 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -90.72 141.24 29.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 178.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -66.8 -33.83 76.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.7 p -88.8 -5.91 57.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 -174.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -83.62 156.41 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 81.1 p -82.21 169.84 16.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.196 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.1 m -66.68 -21.15 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.085 -176.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -61.55 -30.72 70.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -71.29 -41.02 70.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.414 HD22 HD11 ' A' ' 72' ' ' ILE . 63.3 tp -61.38 -47.38 86.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -69.92 -34.75 73.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.64 -46.39 90.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.59 -38.59 84.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.77 -38.3 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 171.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -66.32 -37.5 85.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.64 -39.94 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.9 t -68.67 -40.79 82.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -94.38 -177.94 4.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -121.6 26.51 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -109.81 127.44 27.12 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 111.111 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -52.92 143.42 49.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.785 2.324 . . . . 0.0 112.358 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.72 -37.4 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.123 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.8 -21.04 66.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.03 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HB3' ' HB2' ' A' ' 77' ' ' LYS . 40.3 mmt180 -99.94 -34.48 10.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 63.0 ttp -74.74 134.22 41.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -106.48 134.69 49.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.5 tp -115.12 117.93 31.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -121.47 140.63 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.481 ' O ' ' C ' ' A' ' 50' ' ' SER . 19.0 t80 -115.17 135.65 53.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.9 t -28.16 103.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.818 174.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.12 -76.92 0.52 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.569 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.5 mt -99.62 130.69 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.037 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -75.36 135.86 40.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.9 mt -85.31 66.62 9.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.944 -174.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.77 -23.46 18.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.144 -170.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -88.96 112.72 23.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.12 -30.23 70.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.39 -10.5 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -170.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -81.08 133.22 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.83 175.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.49 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.2 m-80 -79.55 156.97 27.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -171.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.23 -42.84 96.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.958 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -55.5 -45.24 77.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 172.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.08 -30.06 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -77.69 -19.38 55.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.02 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.8 29.05 13.97 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.42 -175.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.0 mm -83.19 116.93 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.966 0.412 . . . . 0.0 111.118 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.5 p -108.88 -177.27 3.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.42 -17.76 64.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -109.06 16.29 22.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.942 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.0 t -55.15 133.28 48.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -116.63 114.92 24.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 174.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.531 HD12 HG23 ' A' ' 10' ' ' VAL . 45.5 pt -119.36 143.42 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -177.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.0 t -109.56 130.11 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -121.56 134.07 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -172.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -113.43 136.64 52.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -175.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.1 mt -103.26 134.27 46.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -175.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 99.4 mttt -124.23 75.32 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 174.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.1 p -160.75 155.98 24.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 172.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.4 mt -108.73 -55.57 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -177.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.72 154.86 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -119.15 178.35 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -174.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.32 144.78 40.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.076 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -47.42 -49.45 25.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.793 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 178.801 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.772 0.32 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.65 107.35 18.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.064 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.4 t -124.83 106.7 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 64.78 26.66 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.812 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -105.61 144.89 31.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.3 pt -135.79 150.01 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 176.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -101.13 147.59 26.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.6 t -123.51 128.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -88.51 118.41 28.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.513 HG23 HD12 ' A' ' 72' ' ' ILE . 36.4 t -101.46 114.42 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.224 -174.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -108.73 112.63 25.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -174.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.585 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 50.9 m-85 -94.43 165.95 16.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 162.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.585 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 22.5 Cg_endo -62.23 -28.13 78.96 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.651 2.234 . . . . 0.0 112.274 -177.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.3 p -133.25 12.77 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -154.26 149.33 26.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -139.73 145.67 38.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 173.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -161.39 162.42 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 172.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.6 p -112.53 149.87 32.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.224 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -131.12 158.29 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 176.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -113.14 124.21 52.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.38 168.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -175.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' HB3' ' CG ' ' A' ' 25' ' ' GLU . 8.6 t70 -90.0 144.33 26.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -65.52 -32.92 74.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -90.05 -5.41 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -173.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' CG ' ' HB3' ' A' ' 22' ' ' ASP . 48.7 mm-40 -80.63 158.56 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 80.7 p -88.73 170.04 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.202 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.78 -21.93 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.9 p -65.12 -29.93 70.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.1 m -72.39 -37.99 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 172.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.74 -47.92 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -68.98 -32.91 72.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -174.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.79 -45.39 94.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.93 -38.28 85.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.02 -39.12 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 172.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -65.83 -36.79 84.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.71 -40.08 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.9 -39.9 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -94.85 -176.6 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -124.14 27.96 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.1 m -114.32 129.81 24.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.599 0.714 . . . . 0.0 111.054 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.54 141.35 63.07 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.33 -34.23 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.14 -22.98 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -97.95 -36.35 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.7 ttm -69.79 132.94 46.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -104.4 136.47 43.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.3 tp -121.16 118.14 28.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -171.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -127.26 143.3 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.462 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.6 t80 -115.14 136.57 52.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 175.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.1 t -30.71 103.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.67 -82.95 0.62 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.47 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.6 mt -94.69 131.18 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 111.095 -175.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -74.43 135.03 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.8 mt -84.71 62.76 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.977 -177.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.48 -22.71 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -170.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -92.71 112.06 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -175.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -64.85 -31.5 72.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -94.53 -7.91 39.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -169.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -81.44 134.12 35.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.451 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 72.5 m-80 -79.52 156.58 27.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -169.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.85 -41.37 91.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.43 -41.69 94.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.63 -30.27 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -77.67 -19.93 54.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.913 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.02 30.06 13.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -175.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.3 mm -81.71 114.26 22.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.956 0.408 . . . . 0.0 111.115 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -100.59 179.17 4.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.198 -172.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.34 -27.56 67.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -110.33 21.0 17.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -175.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 99.3 p -57.36 144.89 34.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -175.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -124.65 120.47 31.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.513 HD12 HG23 ' A' ' 10' ' ' VAL . 40.0 pt -116.64 143.43 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -101.17 125.22 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.02 130.08 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.038 -175.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -103.53 137.18 41.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -169.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.6 tp -94.35 126.81 39.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.99 -175.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -124.57 70.51 1.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.8 p -169.26 159.4 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.891 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.4 mt -117.13 -45.88 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.15 153.93 20.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -119.5 175.57 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -176.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.7 147.52 34.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 175.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -49.75 -51.78 36.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 176.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.74 108.88 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.8 t -125.52 103.63 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 64.95 24.53 12.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -104.02 144.19 31.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 172.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.41 HD13 HG22 ' A' ' 66' ' ' ILE . 41.6 pt -136.48 151.08 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 178.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -102.52 146.18 28.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 173.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -124.64 131.03 73.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -87.07 119.31 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.546 HG23 HD12 ' A' ' 72' ' ' ILE . 38.4 t -99.82 112.94 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -176.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.7 mttt -105.14 118.28 36.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -174.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -104.55 163.79 16.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.737 0.779 . . . . 0.0 110.843 166.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -53.34 -36.42 78.58 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p -122.79 -4.48 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -168.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -157.7 162.52 38.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -172.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.455 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 83.7 mt-30 -142.22 149.92 40.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.789 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -139.08 156.25 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.1 m -106.04 137.1 44.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.208 172.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.9 m -127.95 158.09 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.135 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -118.82 128.07 54.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.3 m -136.09 170.74 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.027 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.84 144.82 25.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -64.97 -32.72 74.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -87.61 -5.37 58.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -173.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -81.9 159.15 23.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.961 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 78.4 p -89.44 171.21 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.99 -22.5 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.3 p -64.63 -30.01 71.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -71.99 -38.97 69.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 172.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.407 HD22 HD11 ' A' ' 72' ' ' ILE . 59.4 tp -63.5 -47.31 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -70.08 -34.22 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.45 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.792 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -67.54 -38.5 84.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.69 -38.05 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 172.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -66.24 -37.98 86.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.34 -39.57 85.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.54 -39.71 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -94.97 -173.37 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -126.79 24.99 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.1 m -111.78 129.39 24.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.61 0.719 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -52.6 142.5 49.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.777 2.318 . . . . 0.0 112.329 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.75 -37.3 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.6 -21.17 66.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -99.82 -37.06 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.3 ttp -68.32 134.29 50.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -105.5 137.54 43.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.6 tp -122.65 119.01 29.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -173.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -123.7 141.79 51.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.4 t80 -115.22 136.16 53.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 175.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.8 t -27.1 103.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.812 174.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.7 -77.61 0.55 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.8 mt -99.41 132.07 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.741 0.305 . . . . 0.0 111.153 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -74.25 136.51 42.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.6 mt -85.59 64.16 8.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.13 -26.95 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -170.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -92.75 116.74 29.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -172.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -68.62 -31.41 70.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -91.41 -9.28 45.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -172.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -86.67 124.34 32.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.887 171.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 18.4 p30 -89.31 165.78 14.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -165.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.43 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 94.4 mt -57.59 -38.12 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -172.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -65.13 -39.01 92.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.97 -31.69 72.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -79.49 -17.93 53.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.953 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.34 31.12 10.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.439 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.43 ' HB ' ' HB3' ' A' ' 61' ' ' LEU . 47.2 mm -81.41 113.41 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.99 0.424 . . . . 0.0 111.143 -178.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.5 p -107.51 -177.36 3.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.146 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.81 -18.52 64.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -110.1 19.21 19.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 t -54.36 133.38 45.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -175.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -117.71 115.44 25.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 174.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.546 HD12 HG23 ' A' ' 10' ' ' VAL . 46.1 pt -119.59 143.88 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.4 t -108.13 129.15 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.165 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.44 129.82 75.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -110.98 135.36 51.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.1 mt -102.0 131.04 48.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -174.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -121.14 73.74 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.2 p -157.19 153.03 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 171.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.6 mt -106.15 -57.11 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.84 157.0 19.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -114.71 161.1 18.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -173.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.42 148.74 27.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.65 -64.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 176.018 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.757 0.313 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.55 109.9 18.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.055 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.9 t -127.94 107.84 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 65.49 19.05 11.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.879 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -105.25 141.82 36.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 pt -138.58 154.56 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -111.84 124.25 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 170.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.7 t -107.59 137.61 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 -174.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -87.67 117.05 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.498 HG23 HD12 ' A' ' 72' ' ' ILE . 59.9 t -96.73 114.98 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -105.14 116.13 31.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -176.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -102.14 163.74 17.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 167.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -52.71 -35.75 69.83 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.365 -178.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.8 p -123.04 -9.96 8.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -171.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -142.04 160.29 40.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -170.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -137.77 145.36 42.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 172.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -140.68 155.14 46.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.8 m -105.93 137.01 44.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.5 151.6 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.123 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -111.15 122.08 46.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.98 169.79 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.144 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -103.09 142.37 34.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -65.68 -26.1 67.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.6 p -90.73 -8.74 48.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -79.19 156.66 28.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 64.4 p -82.25 166.97 19.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 -176.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.79 -34.71 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.6 p -60.38 -30.79 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -68.37 -40.13 81.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.7 HD21 ' O ' ' A' ' 30' ' ' LEU . 3.5 tt -64.25 -40.28 95.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 174.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.87 -36.69 85.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -57.39 -44.36 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.837 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -62.94 -41.61 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.77 -40.68 89.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 174.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -66.7 -34.24 77.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.34 -42.47 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.108 176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.3 t -72.12 -40.77 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -95.75 -176.88 3.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -121.37 27.99 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.2 m -114.84 129.81 24.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 111.119 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.21 142.81 44.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.23 -34.19 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.75 -21.79 66.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.34 -33.91 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -72.47 134.87 45.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -109.63 133.0 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.817 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.8 tp -117.22 119.81 36.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -174.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -117.76 142.43 47.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.009 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 19.7 t80 -115.33 135.2 54.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 176.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.1 t -28.3 103.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 175.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.67 -81.99 0.6 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.5 mt -97.07 130.66 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.312 . . . . 0.0 111.094 -176.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -74.17 134.98 42.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.28 65.41 9.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.942 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.76 -19.88 26.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -169.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -91.57 109.09 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -177.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -65.21 -37.79 88.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 -170.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.35 -5.68 42.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -168.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -74.66 140.1 44.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.489 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 97.9 m-20 -75.01 149.9 39.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -172.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.39 -41.27 96.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -61.11 -38.0 84.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -67.63 -30.21 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -79.96 -20.05 46.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.61 28.44 8.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.426 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.93 111.28 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.409 . . . . 0.0 111.149 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.7 p -101.46 -178.95 3.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.119 -171.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.28 -30.4 64.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -110.1 23.86 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -173.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t -53.74 132.13 40.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.842 -175.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -111.36 117.78 34.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.498 HD12 HG23 ' A' ' 10' ' ' VAL . 41.1 pt -121.32 142.52 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.036 -178.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.7 t -110.77 129.83 65.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -119.92 129.98 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -170.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -114.73 139.17 49.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.5 mt -107.94 127.04 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -175.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -100.15 66.44 1.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.0 p -153.55 153.06 31.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.3 mt -105.27 -54.94 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.81 153.93 38.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -130.82 -179.98 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.48 145.88 39.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 178.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -48.17 -49.03 34.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.027 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.773 0.321 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.68 109.61 19.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.2 t -126.49 106.14 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.097 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 64.68 24.58 12.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -177.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -104.9 144.41 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 172.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.3 pt -137.4 154.85 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -113.76 142.85 45.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 170.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.54 135.41 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.5 m -86.55 118.43 25.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.545 HG23 HD12 ' A' ' 72' ' ' ILE . 48.2 t -98.04 114.8 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -177.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.26 115.63 30.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -106.26 157.87 33.9 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.678 0.752 . . . . 0.0 110.86 162.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.67 -24.72 78.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.257 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.3 p -97.33 -29.3 13.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.796 -174.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -165.02 162.67 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -130.78 150.03 52.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -161.57 165.0 29.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.3 p -109.17 150.22 28.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.225 -177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -128.64 151.93 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.068 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -107.08 122.22 46.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.86 169.69 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -90.99 145.7 24.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.28 -34.89 79.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -88.27 -5.41 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -173.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -80.08 158.92 26.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 79.9 p -85.65 172.55 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -65.8 -21.48 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 -175.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -64.24 -32.44 74.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.752 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 m -71.17 -37.33 72.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 173.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 72' ' ' ILE . 54.6 tp -62.86 -39.24 93.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 172.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -68.4 -36.07 78.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -58.19 -46.05 86.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.83 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.42 -41.27 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.61 -40.63 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 173.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -68.17 -35.35 77.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.7 mt -63.86 -43.09 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.3 t -73.6 -39.17 53.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -94.28 -177.34 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -122.93 22.59 9.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.9 m -112.92 129.92 24.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.734 . . . . 0.0 111.049 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -52.5 143.08 46.51 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.629 2.219 . . . . 0.0 112.346 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.1 -35.86 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.42 -20.97 66.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -100.3 -32.46 10.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -70.49 132.73 45.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -104.85 133.11 50.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.413 ' HG ' ' HB2' ' A' ' 54' ' ' LEU . 43.6 tp -118.05 111.07 18.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -114.6 139.36 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' O ' ' C ' ' A' ' 50' ' ' SER . 28.4 t80 -115.82 135.68 53.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 174.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.2 t -27.7 103.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 174.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.99 -83.47 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.568 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.4 mt -96.01 131.6 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 111.04 -173.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -74.86 136.25 41.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.413 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 70.4 mt -90.21 66.75 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.917 -171.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.71 -18.32 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -166.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -89.32 113.2 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -173.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.66 -31.48 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -174.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -94.8 -9.02 35.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.031 -170.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -83.51 132.3 34.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.854 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.6 m-80 -79.91 157.64 26.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -171.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.82 -40.86 89.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.991 175.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -61.22 -41.49 96.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.46 -29.99 70.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.24 -19.52 50.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.83 28.2 19.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -177.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mm -81.9 121.29 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.971 0.415 . . . . 0.0 111.122 -178.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.6 p -109.86 -170.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 -173.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -78.58 -11.55 59.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -116.21 -1.67 12.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.3 m -63.81 134.68 55.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.785 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -110.13 129.29 55.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.838 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.545 HD12 HG23 ' A' ' 10' ' ' VAL . 42.3 pt -117.37 143.49 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.083 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -108.25 125.89 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -120.07 134.37 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -169.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.81 140.98 48.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.0 mt -104.96 136.04 45.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -177.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -122.73 72.7 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.0 p -155.49 153.06 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.851 172.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.0 mt -104.99 -55.59 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.09 157.85 27.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -116.45 175.07 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.87 153.82 32.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.37 -61.98 2.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 175.671 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.771 0.32 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.7 102.7 13.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.3 t -125.0 109.35 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 65.05 24.97 12.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.9 149.3 28.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.841 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.406 ' HA ' ' HG2' ' A' ' 68' ' ' GLU . 44.7 pt -135.89 149.85 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 176.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -98.93 142.62 30.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -125.07 128.9 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.7 m -95.06 113.97 25.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -100.07 116.46 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -174.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -100.04 124.73 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.408 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 79.1 m-85 -106.81 164.48 14.75 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.583 0.706 . . . . 0.0 110.912 172.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 88.1 Cg_exo -53.08 -38.75 80.94 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 -175.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -120.17 -9.01 9.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -170.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -151.41 165.04 35.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -171.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -131.43 155.16 47.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -159.04 142.84 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p -107.93 147.98 30.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.187 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.59 162.39 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.088 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -117.2 126.37 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.52 168.47 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -91.75 144.16 25.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -65.35 -32.99 74.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -176.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.0 p -89.83 -6.74 55.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.94 158.13 26.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 67.4 p -90.1 169.96 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 m -65.82 -20.1 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.7 p -62.48 -29.47 70.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.5 m -74.13 -39.36 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.94 -46.86 85.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -69.59 -34.64 74.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.69 -45.12 95.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -67.48 -39.68 85.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.94 -38.02 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 172.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -67.08 -39.18 86.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.78 -40.07 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.2 t -70.73 -38.64 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.077 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -95.03 -175.18 3.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -119.54 18.34 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 174.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 96.7 m -100.97 127.56 31.78 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.536 0.684 . . . . 0.0 111.136 -177.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 74.7 Cg_exo -53.75 140.7 66.68 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.68 -39.78 82.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.15 -21.4 66.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -175.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -101.51 -33.91 9.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -70.13 134.27 47.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -106.74 138.78 42.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HG ' HD12 ' A' ' 54' ' ' LEU . 32.7 tp -120.46 118.11 29.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -169.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -122.68 136.3 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -170.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.583 ' O ' ' C ' ' A' ' 50' ' ' SER . 3.8 t80 -110.56 118.51 36.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 176.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.583 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.7 t -22.04 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.1 -63.77 0.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.3 pt -115.96 148.75 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.353 . . . . 0.0 111.073 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -83.27 141.26 31.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 176.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.458 HD12 ' HG ' ' A' ' 47' ' ' LEU . 85.5 mt -88.95 66.15 7.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.973 -175.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.23 -21.45 25.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -165.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -96.19 111.07 23.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -172.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -31.76 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 -173.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.71 -5.88 50.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -169.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -83.05 132.95 35.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.0 m-80 -80.1 155.8 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -169.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.28 -42.38 77.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -62.69 -39.63 94.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.83 -29.28 69.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -74.86 -19.99 59.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.17 25.77 32.96 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 -172.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.404 HG23 ' CB ' ' A' ' 70' ' ' SER . 96.9 mt -84.67 124.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 111.133 -177.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.7 p -114.02 -168.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -170.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' A' ' 6' ' ' ILE . 97.3 mt-10 -77.55 -11.97 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -110.98 11.07 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.404 ' CB ' HG23 ' A' ' 66' ' ' ILE . 30.6 t -64.62 135.41 55.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -172.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -102.61 122.13 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 169.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.0 mm -114.57 124.8 71.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.5 t -99.98 129.09 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 -173.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -108.44 128.23 64.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -111.6 133.53 53.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.2 mt -101.83 126.37 48.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 -173.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -129.75 58.17 1.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 175.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.1 t -146.9 143.02 28.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.3 mt -98.17 -53.68 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.174 174.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -67.04 167.37 11.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 171.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -118.39 162.64 17.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.17 147.69 30.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -51.31 -52.39 45.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 177.884 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.797 0.332 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.26 110.94 22.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.049 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.8 t -126.18 104.94 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 64.84 24.36 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.58 143.03 35.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.4 pt -136.97 152.78 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.103 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -113.64 141.91 46.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 171.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.38 135.23 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.0 m -87.16 118.47 26.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.56 HG23 HD12 ' A' ' 72' ' ' ILE . 57.3 t -96.49 115.33 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -177.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.1 mttt -105.1 115.62 30.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -177.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -106.28 157.75 34.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.736 . . . . 0.0 110.828 160.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -60.92 -24.14 78.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.0 p -98.02 -29.72 13.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -165.22 161.96 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 86.3 mt-30 -130.59 152.21 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 176.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -161.07 164.52 30.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 176.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m -109.49 142.3 40.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.174 -174.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.7 m -124.33 151.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.102 177.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -108.2 123.56 48.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.4 169.37 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 8.8 t70 -95.84 148.44 22.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 178.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.42 -33.55 76.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.6 p -84.32 -5.04 59.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -174.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.45 ' HG3' ' HB3' ' A' ' 22' ' ' ASP . 94.6 mt-10 -84.11 158.26 21.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 30.0 p -85.79 177.42 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 174.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.05 -18.08 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.076 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -55.3 -44.3 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.7 p -71.0 -33.59 70.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.422 HD22 HD11 ' A' ' 72' ' ' ILE . 56.1 tp -64.8 -40.07 94.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.964 174.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.05 -37.55 81.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -57.31 -46.77 82.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -64.66 -41.43 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.03 -39.92 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 173.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -66.23 -35.82 81.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.31 -42.7 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.112 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.9 t -75.06 -39.97 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -92.87 -179.99 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -173.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -115.34 18.66 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.0 m -112.15 129.8 23.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.564 0.697 . . . . 0.0 111.134 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -53.47 144.13 52.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.1 -37.03 76.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.96 -20.71 66.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -100.44 -36.58 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.402 ' SD ' HG13 ' A' ' 74' ' ' VAL . 18.4 tmm? -65.93 132.49 48.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -105.18 138.99 40.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.4 tp -126.73 111.54 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -167.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -113.35 139.1 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.5 ' O ' ' C ' ' A' ' 50' ' ' SER . 23.9 t80 -116.63 135.13 54.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 175.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.5 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.6 t -26.14 102.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.851 175.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.85 -80.0 0.55 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.8 mt -97.25 131.79 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.839 0.352 . . . . 0.0 111.106 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -74.81 138.26 42.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.7 mt -91.54 66.22 5.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -170.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.69 -25.25 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -168.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -91.68 113.19 25.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.55 -30.01 68.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.802 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -96.03 -8.94 32.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -170.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -79.97 133.18 36.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.3 m-80 -76.07 155.5 34.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -169.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.8 -40.53 80.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -62.08 -40.8 97.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 177.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.98 -30.53 71.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -80.02 -18.98 48.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.02 27.52 13.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.511 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -80.98 119.09 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.953 0.406 . . . . 0.0 111.099 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.0 p -112.27 -169.9 1.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.237 -174.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.15 -6.02 53.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -113.93 13.41 18.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.5 t -53.24 126.25 20.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.869 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -109.84 114.78 28.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.828 173.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.56 HD12 HG23 ' A' ' 10' ' ' VAL . 44.3 pt -119.19 142.39 34.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.2 t -107.96 126.79 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 175.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.402 HG13 ' SD ' ' A' ' 45' ' ' MET . 56.7 t -119.84 134.28 63.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.12 -169.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -116.34 139.55 50.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.0 mt -102.26 135.21 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -125.31 66.33 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.1 p -158.85 159.6 35.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 173.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.3 mt -108.34 -55.16 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -72.23 149.62 44.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.4 mtm180 -101.42 153.32 19.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.93 150.95 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.031 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.32 -62.87 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.3 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 173.676 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.12 175.02 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 m -70.13 -17.14 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -89.03 82.67 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -171.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -93.64 149.91 20.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.824 -175.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 pt -137.47 158.54 34.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 173.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -103.97 140.85 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 171.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -125.79 132.61 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.073 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -96.36 114.48 26.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.429 HG12 ' CE1' ' A' ' 12' ' ' PHE . 47.0 t -112.01 121.22 64.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -111.85 123.19 49.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 -169.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.627 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 1.2 m-85 -108.77 163.55 16.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.952 171.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 41.6 Cg_endo -63.78 -27.49 67.93 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.422 176.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 98.8 p -97.3 -26.39 14.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -175.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -167.25 151.8 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.957 -172.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -127.64 149.39 50.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 175.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -164.95 169.18 16.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -112.57 153.07 28.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.4 m -130.17 159.64 42.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -107.87 118.44 36.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 177.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 m -136.06 174.13 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 -174.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -104.57 138.45 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 176.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.79 -23.58 64.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -176.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.7 p -92.91 -8.71 42.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -79.14 156.26 28.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 173.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 60.9 p -77.73 163.16 26.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.464 HG22 ' HB3' ' A' ' 54' ' ' LEU . 9.9 p -63.57 -21.82 29.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -177.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p -66.79 -27.43 67.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.9 m -68.73 -38.8 80.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.3 tp -62.68 -40.98 98.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 172.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.59 -36.76 85.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.47 -42.89 99.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 175.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.4 -41.84 97.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.0 mt -62.69 -39.97 86.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -67.17 -34.23 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -69.73 -45.9 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.95 -45.66 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -98.38 143.8 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -85.21 63.06 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -152.16 140.0 13.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 111.185 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.08 147.47 73.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.85 -34.03 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.07 -26.26 67.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -89.19 -37.27 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' A' ' 47' ' ' LEU . 19.3 tmm? -71.75 128.89 37.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 177.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -105.42 122.33 45.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.47 ' HB2' ' SD ' ' A' ' 45' ' ' MET . 41.6 tp -118.13 119.46 34.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -172.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -138.28 148.91 45.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -126.11 137.48 53.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -173.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.3 t -38.84 129.75 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.38 -96.85 2.26 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.441 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.3 mt -94.24 128.49 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.117 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -72.61 134.86 45.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 177.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.464 ' HB3' HG22 ' A' ' 27' ' ' VAL . 62.2 mt -85.9 61.87 7.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -172.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.64 -13.6 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -173.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -101.87 110.98 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.35 -29.99 71.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -173.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -87.29 -7.36 57.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -165.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -82.02 145.96 29.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.595 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 75.2 m-80 -84.45 156.04 21.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.86 -43.54 98.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.93 -35.18 79.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 173.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -64.04 -32.36 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -77.97 -16.2 58.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.93 24.36 45.44 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.553 -174.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 92.6 mt -82.02 126.19 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.077 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.0 p -109.04 -177.57 3.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -171.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -72.71 -12.89 61.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -111.65 -3.72 14.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.6 m -68.8 140.04 55.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.54 129.9 55.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 68.6 mt -117.63 131.28 70.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -177.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.37 136.21 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -166.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.0 t -112.2 136.58 47.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.179 -176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -107.65 133.1 52.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 171.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.8 mt -105.71 133.97 49.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.98 -174.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.3 131.23 47.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.88 173.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 93.2 p -80.15 158.55 26.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.638 HG22 ' O ' ' A' ' 79' ' ' ILE . 29.5 mt 54.93 44.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.156 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.7 p30 -97.82 -169.04 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.999 -173.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -146.59 130.07 16.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.95 159.29 40.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -84.54 153.49 23.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.143 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.749 0.309 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.95 56.33 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 56.7 t -130.84 135.44 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -174.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -96.89 -19.55 18.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -174.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -97.21 156.82 16.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.7 mt -130.11 141.02 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 172.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -95.05 136.73 35.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.3 t -123.17 131.75 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -94.92 119.93 34.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.063 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -102.09 114.58 41.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -109.48 115.98 30.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -169.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -105.43 159.82 28.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.669 0.747 . . . . 0.0 110.846 167.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -63.08 -25.1 73.29 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.754 2.303 . . . . 0.0 112.311 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -117.23 -12.38 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -171.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -157.03 165.69 35.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -151.55 141.48 22.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -157.35 163.66 38.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.8 p -114.38 150.81 34.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.16 160.21 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -112.71 126.72 55.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.47 166.84 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.513 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.8 t70 -94.33 147.76 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 172.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -68.08 -26.49 65.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -176.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.4 p -91.58 -7.13 51.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -173.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.513 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 65.9 mm-40 -79.98 154.55 28.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 177.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 81.0 p -83.53 165.02 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.072 -178.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.76 -23.57 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -61.01 -38.58 86.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 175.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -65.07 -38.31 90.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.9 tp -62.27 -43.32 99.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 175.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.6 -39.81 92.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.778 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.95 -45.93 90.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.863 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -68.82 -34.41 75.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.18 -40.01 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.023 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.592 ' O ' ' HD2' ' A' ' 35' ' ' HIS . 11.1 t-160 -64.16 -36.14 83.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.8 -39.18 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.13 -39.28 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -90.1 -179.52 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -119.82 39.42 3.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 176.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.3 t -134.93 140.06 33.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 111.2 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.58 145.34 75.94 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.0 pt -66.39 -22.99 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.107 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.84 -25.85 63.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -102.02 -36.33 8.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.7 ttp -64.21 135.23 56.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -106.82 135.9 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.8 tp -117.06 119.43 35.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -122.1 135.75 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.016 -172.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 57.7 m-85 -102.55 126.68 49.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 171.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' TYR . 40.5 t -33.88 102.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 173.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.19 -60.35 0.33 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 49' ' ' TYR . 93.2 mt -115.69 134.45 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.846 0.355 . . . . 0.0 111.108 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -91.23 111.88 23.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.7 tp -83.66 115.66 22.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.67 6.13 21.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -96.9 106.18 18.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.93 -27.31 68.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -176.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -91.04 -2.68 57.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -170.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -69.99 127.34 32.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.513 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 68.7 m-80 -78.34 149.63 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.89 -43.47 83.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -173.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -63.65 -40.36 96.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.52 -30.69 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -77.94 -24.77 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.43 39.28 6.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 169.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.3 pt -83.26 151.5 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.897 0.379 . . . . 0.0 111.05 173.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.4 p -116.54 -179.97 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -175.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.72 -28.03 65.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.779 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -106.18 19.71 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.6 t -61.21 128.38 36.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -107.08 116.57 32.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 173.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.7 mt -120.73 131.3 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -175.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -100.88 129.25 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.206 -172.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.32 130.97 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -112.0 143.67 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.77 132.77 46.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -95.97 144.31 26.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 171.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.2 t -60.01 120.67 10.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.9 pt -129.04 179.28 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -105.61 102.13 11.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -114.57 30.04 7.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.52 154.87 41.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 56.59 36.58 27.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 178.098 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.795 0.331 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.0 -26.94 59.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.118 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.5 m -129.64 148.12 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.123 -175.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.27 63.99 6.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.65 156.11 18.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 175.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.7 pt -128.46 156.98 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -119.84 139.9 51.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.04 149.34 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -91.08 116.86 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.18 114.48 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -106.99 118.38 36.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -169.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 72.4 m-85 -106.05 156.95 35.88 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.644 0.735 . . . . 0.0 110.894 165.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.2 -24.99 76.64 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.4 p -99.2 -25.0 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 63.8 pttt -165.53 160.8 18.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -174.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -131.61 150.63 52.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -157.66 161.31 38.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -102.54 150.0 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.097 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.9 t -127.73 140.7 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.068 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -95.97 116.35 28.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.926 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.9 m -134.99 170.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 -175.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.408 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.9 t0 -108.21 145.22 34.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 173.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -65.05 -25.15 67.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.8 p -92.44 -7.04 48.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 56.8 mm-40 -79.09 155.83 28.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 176.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 74.8 p -84.77 165.01 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -177.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.45 -29.94 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.436 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 73.8 p -60.03 -30.04 68.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.82 -179.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 m -67.98 -40.1 83.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.76 -41.04 96.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 173.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.4 -44.78 89.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.948 177.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -57.1 -45.04 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -63.33 -39.25 94.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.97 -41.96 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -66.95 -29.14 68.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.65 -39.25 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.4 t -79.09 -44.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.074 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -126.33 110.7 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -76.26 70.11 2.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.955 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 99.8 m -131.78 134.27 25.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.541 0.686 . . . . 0.0 111.201 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 87.5 Cg_exo -54.06 138.9 71.24 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.602 2.202 . . . . 0.0 112.42 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.6 tp -67.22 -23.56 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.77 -23.1 67.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -100.68 -37.53 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.1 mtp -74.9 144.96 43.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.401 ' HB3' ' HB2' ' A' ' 75' ' ' PHE . 66.5 tt0 -108.36 131.18 55.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 176.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.4 tp -114.61 106.32 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -115.19 137.31 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 30.4 t80 -114.04 139.31 49.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 174.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.0 t -28.22 102.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 175.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.87 -73.6 0.63 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.499 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.4 mt -100.18 131.32 47.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.793 0.33 . . . . 0.0 111.127 -175.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -74.79 135.96 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 172.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.41 69.7 10.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.968 -170.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.12 -35.05 71.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -173.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -95.11 109.73 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -170.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' A' ' 28' ' ' SER . 92.0 m-20 -67.19 -29.99 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -176.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -92.53 -5.78 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 -171.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -78.48 140.33 38.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.805 174.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 97.8 m-20 -74.98 151.03 38.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -173.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.21 -40.2 93.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -64.28 -39.18 93.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.79 -30.82 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -78.38 -19.96 52.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 176.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.57 30.32 19.02 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -177.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 49' ' ' TYR . 96.5 mt -86.61 122.29 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 111.089 -175.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.6 p -104.54 176.48 5.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -88.33 -0.6 57.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -111.24 -29.87 7.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.1 p -74.09 167.66 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -116.9 145.49 43.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.797 -167.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 90.6 mt -116.7 125.18 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.7 t -106.98 124.97 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -174.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.9 t -122.37 129.53 75.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 -175.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.401 ' HB2' ' HB3' ' A' ' 46' ' ' GLN . 92.9 m-85 -105.48 127.54 53.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -177.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.2 tp -95.82 125.49 40.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -171.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -130.06 90.01 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.807 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.4 m -82.6 -20.43 36.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 79' ' ' ILE . 25.5 mm 55.13 51.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 177.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -95.05 9.57 38.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.27 -61.05 2.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.18 70.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -163.06 150.52 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.638 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.771 0.319 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.95 108.4 19.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.7 t -124.89 106.99 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 65.09 25.44 12.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 -177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.62 144.1 33.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.5 pt -136.47 153.52 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.195 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -102.93 149.22 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.7 t -126.58 132.08 70.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.9 m -88.84 119.01 28.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.174 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.531 HG23 HD12 ' A' ' 72' ' ' ILE . 42.1 t -100.14 114.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -174.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.77 115.46 30.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.989 -175.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.427 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 94.5 m-85 -105.54 159.62 28.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.738 . . . . 0.0 110.886 164.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 21.4 Cg_endo -60.99 -26.97 84.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.227 -178.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -121.37 -8.07 9.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.843 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -145.14 148.79 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -172.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -141.04 146.13 36.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -167.76 165.54 14.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.8 p -111.37 150.04 30.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.188 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.81 157.75 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -112.26 124.21 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.9 m -135.07 168.19 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.159 -177.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -90.4 144.93 25.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -65.18 -33.52 76.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.7 p -90.11 -6.44 55.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -172.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -79.93 158.77 26.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 66.9 p -86.47 169.42 12.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.04 -22.38 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.9 p -65.74 -30.58 71.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.2 m -72.28 -36.75 69.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.436 HD22 HD11 ' A' ' 72' ' ' ILE . 61.7 tp -61.82 -39.64 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.848 170.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.0 -36.85 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 176.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -58.49 -45.31 88.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.816 177.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -63.35 -39.62 95.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.64 -41.41 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -66.16 -36.12 82.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.92 -42.53 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.08 -40.06 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -94.96 -178.85 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -175.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -118.16 24.91 10.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.7 m -115.74 128.5 25.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.504 0.668 . . . . 0.0 111.108 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -53.08 143.4 50.87 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.743 2.295 . . . . 0.0 112.317 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.07 -35.14 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.93 -22.75 66.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -99.57 -37.68 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.28 133.54 51.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -107.03 138.32 43.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.53 118.52 28.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -171.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -123.35 141.79 51.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.926 175.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.456 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.9 t80 -115.77 136.73 52.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.6 t -30.83 103.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.844 175.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.38 -82.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.0 mt -95.13 129.88 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.338 . . . . 0.0 111.095 -176.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -74.12 133.12 42.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.6 mt -85.16 64.6 8.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.963 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.49 -24.85 22.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -169.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -90.63 111.32 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -172.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.33 -28.95 68.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -173.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -94.19 -8.46 39.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -172.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -82.28 135.06 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-20 -79.13 156.69 28.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -170.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.41 -41.48 93.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -60.96 -41.74 96.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.77 -30.7 71.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.74 -19.92 47.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.937 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.08 29.65 14.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.488 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.1 mm -81.86 123.3 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.391 . . . . 0.0 111.124 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.1 p -110.23 -177.38 3.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -174.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.88 -25.04 67.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -112.9 5.61 17.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -170.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 m -65.45 139.44 58.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.818 -176.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -112.31 129.82 56.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.531 HD12 HG23 ' A' ' 10' ' ' VAL . 46.2 pt -117.15 143.75 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.43 125.27 62.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -121.3 135.86 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -170.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -116.16 139.51 50.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.985 -178.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.7 mt -101.57 135.15 43.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -125.47 69.8 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.2 p -163.15 158.91 22.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 176.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.5 mt -107.76 -54.96 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.99 155.2 35.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -114.39 175.04 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.03 153.17 48.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.75 -64.54 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 175.326 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -98.9 150.02 22.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 pt -136.36 151.75 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -105.36 143.49 33.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.92 134.87 65.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.3 m -91.87 116.9 29.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.9 t -104.8 116.13 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -104.93 122.93 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -108.67 157.41 36.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.871 166.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -60.81 -25.62 81.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -103.89 -24.31 13.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -175.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -159.96 163.15 34.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -172.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -130.91 152.52 50.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -160.07 150.73 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.1 p -111.59 147.9 34.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -130.0 158.87 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -112.05 123.38 50.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.11 171.83 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.9 t70 -98.99 144.04 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 176.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -67.71 -26.81 66.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.1 p -88.29 -9.01 54.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -175.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 67.7 mm-40 -80.03 155.68 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 175.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 78.5 p -83.39 164.98 19.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.184 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.38 -23.53 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.1 p -65.0 -29.86 70.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -71.44 -36.25 71.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.8 tp -62.39 -40.81 97.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.953 170.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.91 -34.56 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -58.35 -44.64 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -64.44 -40.79 96.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.3 -40.09 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -66.14 -36.72 83.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.99 -40.36 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.07 -38.87 56.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -96.59 -178.21 4.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -174.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -117.03 22.99 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.2 m -116.3 131.95 23.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 111.141 -176.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.12 145.2 93.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.34 -35.45 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -175.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.6 -20.82 65.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.0 -38.19 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.842 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 73.3 mtm -60.06 136.52 58.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -109.99 143.88 39.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 175.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 tt -127.19 122.87 35.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.987 -172.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -119.27 131.42 55.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' O ' ' C ' ' A' ' 50' ' ' SER . 43.1 t80 -103.49 135.53 44.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.949 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.491 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.1 t -28.54 103.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 175.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.53 -73.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 174.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.4 mt -104.41 133.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 111.129 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -90.88 112.91 24.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.8 tp -81.79 111.47 18.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.97 1.9 40.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -96.4 108.6 21.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.25 -29.7 70.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -92.59 -2.27 56.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -169.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -70.21 129.17 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 176.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 70.8 m-80 -76.06 147.41 38.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.57 -46.95 80.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -63.19 -41.89 99.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.9 -25.25 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -89.8 -18.91 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.03 27.32 7.44 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.46 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mm -84.73 122.01 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 0.0 111.058 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.6 p -113.77 -168.76 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -78.62 -4.03 46.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -114.15 10.47 17.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -55.99 128.5 35.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 -174.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -109.16 111.23 22.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.41 127.02 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -99.17 125.26 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.0 t -117.35 131.69 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.036 -171.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -174.9 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.51 143.89 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.4 pt -136.6 151.9 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -101.89 146.32 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.0 t -125.87 131.85 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 100.0 m -89.28 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.519 HG22 HD11 ' A' ' 72' ' ' ILE . 44.8 t -97.74 114.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -177.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.9 mttt -104.95 118.77 37.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -175.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.29 163.25 17.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.591 0.71 . . . . 0.0 110.839 165.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -53.64 -35.57 78.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.632 2.222 . . . . 0.0 112.271 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p -122.09 -5.66 8.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -168.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -157.9 162.0 38.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -172.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 83.8 mt-30 -142.04 150.6 41.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -139.34 156.5 46.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.4 m -106.38 136.5 46.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.227 172.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.9 m -128.52 158.04 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.08 177.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -118.44 127.42 53.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.49 171.01 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 -177.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -94.49 144.54 25.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -65.93 -34.47 78.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -88.97 -6.74 57.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.038 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -78.65 156.93 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.941 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 75.6 p -86.01 171.1 11.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.12 -30.79 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -58.83 -29.56 66.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -72.0 -39.76 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 173.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.07 -47.42 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -69.24 -35.37 76.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.915 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.35 -44.28 88.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.812 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -69.89 -37.6 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.58 -37.58 78.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 171.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -66.38 -38.47 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.76 -39.83 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.79 -40.28 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -97.58 -178.13 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -175.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -115.84 23.02 12.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.6 m -109.58 128.76 24.84 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.619 0.723 . . . . 0.0 111.074 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.41 143.4 54.74 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.763 2.309 . . . . 0.0 112.287 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.5 mt -59.06 -37.7 69.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.45 -20.93 66.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -100.96 -34.84 9.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -69.91 133.39 47.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -106.51 134.41 49.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.0 tp -119.69 114.99 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -173.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -116.55 141.5 48.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.501 ' O ' ' C ' ' A' ' 50' ' ' SER . 18.4 t80 -116.9 134.08 55.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.3 t -24.79 102.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 172.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.35 -79.6 0.59 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.2 mt -98.24 131.43 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.189 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -76.55 138.23 40.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.9 mt -89.47 65.38 7.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -170.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.63 -20.31 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -169.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -92.19 114.3 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.81 -35.87 82.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.813 -175.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -95.69 -8.63 34.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -166.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -79.34 134.64 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.858 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 71.8 m-80 -77.92 154.18 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -170.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.09 -41.93 84.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.02 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -58.88 -42.6 89.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.99 -29.72 69.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -176.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -78.69 -19.92 51.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.52 28.33 13.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -175.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -80.1 111.92 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 111.145 -178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.1 p -102.64 -177.99 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -172.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.11 -17.09 64.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -112.19 18.62 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.9 t -52.09 130.16 29.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -111.72 114.47 27.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 172.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.519 HD11 HG22 ' A' ' 10' ' ' VAL . 43.2 pt -120.14 143.65 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 -177.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.6 t -109.04 129.2 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.3 t -120.33 130.58 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -172.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -178.239 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.815 0.341 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -105.02 139.13 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 pt -137.12 154.11 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -112.03 130.69 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 170.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.9 t -109.64 134.5 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.096 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.1 m -86.09 118.71 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.517 HG22 HD11 ' A' ' 72' ' ' ILE . 48.1 t -97.45 114.92 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -178.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -108.46 115.58 30.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -104.61 163.4 17.31 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 165.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.84 -33.51 81.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.749 2.3 . . . . 0.0 112.303 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -125.62 -6.1 6.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -172.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -140.89 147.44 38.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -172.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -140.63 146.16 37.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 176.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -168.01 166.04 13.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.9 p -111.11 149.18 31.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.253 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.1 156.08 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.094 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -109.21 123.54 49.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -176.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.37 168.09 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.165 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.416 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 8.8 t70 -98.84 148.79 23.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -64.49 -31.15 72.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -86.59 -5.26 59.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.065 -174.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HG3' ' HB3' ' A' ' 22' ' ' ASP . 95.5 mt-10 -84.75 157.93 20.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.979 0.419 . . . . 0.0 110.846 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 29.5 p -85.66 176.06 8.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 173.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.9 m -65.33 -15.15 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 176.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -55.23 -45.31 75.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.2 p -71.38 -33.98 70.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD21 HD13 ' A' ' 72' ' ' ILE . 58.7 tp -64.22 -41.57 96.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -71.53 -34.09 69.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -57.31 -46.49 83.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -63.39 -42.13 98.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.92 -40.03 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -67.05 -36.03 81.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.96 -43.69 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.051 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.9 t -73.43 -39.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -94.89 -178.97 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.975 -175.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -116.67 21.23 13.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.8 m -112.93 129.5 24.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.562 0.696 . . . . 0.0 111.058 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.23 144.29 48.86 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.38 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.77 -36.62 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.95 -21.06 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.09 -37.7 8.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.7 tmm? -65.59 133.59 51.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -106.03 136.95 44.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.3 tp -125.72 112.8 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -170.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -114.65 138.9 50.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.502 ' O ' ' C ' ' A' ' 50' ' ' SER . 36.8 t80 -115.64 136.2 53.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 174.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.7 t -25.94 102.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 173.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.89 -76.68 0.53 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.4 mt -96.04 129.27 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.32 134.59 42.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 171.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.4 mt -90.09 67.58 7.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -169.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.7 -19.38 19.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -166.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -94.47 109.62 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.65 -32.33 73.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.761 -169.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -93.45 -7.17 45.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -170.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -76.61 133.34 39.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-80 -77.28 153.53 33.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -170.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.62 -38.77 75.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -61.6 -39.6 91.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 176.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -67.98 -29.97 69.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -75.36 -19.93 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.91 29.77 16.94 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.445 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.4 mm -79.44 116.75 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 0.0 111.131 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -104.59 -179.44 3.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.155 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.91 -30.72 66.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -109.71 16.35 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -59.5 132.43 53.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -110.94 128.27 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.517 HD11 HG22 ' A' ' 10' ' ' VAL . 38.0 pt -118.65 143.48 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 -177.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -108.41 126.16 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.1 t -122.11 135.08 63.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -168.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.933 -178.829 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.846 0.355 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -95.48 141.19 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.82 -171.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 pt -136.55 150.82 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -95.88 134.75 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.767 175.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.2 t -115.21 129.3 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 172.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.7 m -90.35 115.75 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.141 171.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.5 t -100.17 117.09 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 -176.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -104.11 121.4 43.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -173.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.0 158.8 31.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 163.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -58.17 -31.95 94.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -102.86 -26.97 12.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -144.55 160.57 40.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -168.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -134.2 148.1 50.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -140.0 154.52 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.3 m -103.17 133.63 47.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.186 168.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.9 t -127.5 142.72 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.158 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -108.14 118.61 37.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 m -137.24 177.19 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 -172.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -115.39 137.21 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.885 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -66.96 -20.13 65.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -172.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.3 p -89.98 -11.57 41.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -85.79 158.63 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 173.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 60.6 p -84.95 172.69 11.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.22 -22.14 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.4 p -64.77 -31.28 72.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -66.6 -42.07 87.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.762 172.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.63 -39.64 92.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 174.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.71 -42.2 97.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.31 -45.01 88.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.34 -40.44 85.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.998 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.48 -38.46 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -68.19 -36.27 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.6 mt -67.86 -45.0 84.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.7 t -74.22 -50.61 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 -174.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -97.55 145.53 26.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -84.85 74.19 10.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 8.8 t -155.47 136.61 9.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 111.154 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 51.0 Cg_exo -58.24 143.48 97.06 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.33 -36.26 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.78 -24.98 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -91.37 -27.11 18.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -175.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -89.95 133.55 34.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -110.06 128.46 55.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.5 tp -109.22 114.79 28.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -135.77 159.66 40.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -139.91 134.78 32.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -166.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -38.47 130.03 1.35 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.16 -98.18 2.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.8 mt -93.52 126.52 45.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 111.134 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.32 138.8 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.2 mt -85.69 60.05 6.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -166.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.84 -16.9 34.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.005 -170.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -97.26 105.21 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.83 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -65.12 -26.43 68.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.24 -7.37 48.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -171.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -83.42 136.88 34.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.847 176.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 76.0 m-20 -81.13 155.58 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.73 -41.43 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -62.93 -38.51 91.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.77 -23.96 63.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -78.55 -17.27 56.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.77 22.23 56.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.6 mt -83.68 130.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.156 -174.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.2 p -108.0 178.67 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.174 -171.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -77.4 -3.37 39.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.818 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -112.55 -7.45 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.3 m -66.35 146.44 54.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -176.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -117.59 129.8 56.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 174.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.1 mt -117.38 132.75 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.6 t -110.03 139.2 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 -165.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -110.68 131.9 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.5 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 172.88 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.948 0.404 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -99.29 153.88 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 pt -140.07 150.19 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 171.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -97.48 126.14 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.797 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.8 t -114.15 124.93 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.1 m -89.96 116.1 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.3 t -96.92 117.68 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -107.88 121.85 45.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -113.77 156.49 43.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.708 . . . . 0.0 110.974 163.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -61.26 -24.16 78.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.411 173.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 99.2 p -91.79 -31.2 15.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -165.55 157.43 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.964 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -129.3 149.84 50.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 176.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -159.27 163.02 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -178.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -120.2 141.39 49.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.0 m -126.97 160.13 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.071 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -107.63 119.34 39.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.93 167.97 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -104.37 128.75 52.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -69.19 -22.33 63.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -171.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.6 p -91.05 -8.48 48.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -85.74 163.61 18.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 170.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 80.7 p -79.69 165.96 22.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 54' ' ' LEU . 8.9 p -64.89 -19.89 26.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -62.71 -26.26 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -176.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 m -66.2 -40.94 90.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.33 -39.93 94.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 174.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.16 -40.01 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -58.35 -45.54 87.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 173.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.41 -40.76 95.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.82 -40.8 90.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -66.07 -34.59 78.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.21 -47.1 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.3 t -81.28 -40.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' OE1' ' HA ' ' A' ' 38' ' ' GLU . 5.8 tp10 -100.01 145.28 28.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -176.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -88.24 71.01 9.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.8 m -155.81 125.49 3.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.182 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -52.09 141.54 47.47 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.426 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.7 mt -60.86 -37.75 77.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.966 0.412 . . . . 0.0 111.127 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -68.43 -19.58 64.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -102.15 -33.9 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -63.82 130.08 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -101.27 126.13 47.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.411 ' HG ' ' HB2' ' A' ' 54' ' ' LEU . 67.3 tp -120.31 116.54 25.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -174.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -134.27 154.19 51.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -143.47 136.83 28.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -173.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.2 t -38.3 128.63 1.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 174.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.23 -99.26 2.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.505 -172.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.3 mt -94.03 127.31 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 0.0 111.153 -177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.56 135.6 50.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.416 ' HB3' HG21 ' A' ' 27' ' ' VAL . 46.7 mt -84.03 63.61 7.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -170.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.22 -8.05 15.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 -173.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -93.68 105.59 17.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -65.47 -26.74 68.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -91.93 -11.48 36.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -171.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -79.96 134.75 36.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.548 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 76.4 m-20 -79.91 156.28 27.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 -176.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 99.3 mt -58.18 -38.97 77.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -64.37 -39.32 93.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.57 -25.98 65.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -75.28 -21.61 58.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 174.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.52 24.89 44.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -87.19 130.97 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.346 . . . . 0.0 111.174 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.6 p -107.87 177.0 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 -171.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -76.33 -5.43 47.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.801 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -110.41 -8.2 14.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 m -63.39 130.13 43.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -108.44 127.0 53.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 174.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.76 124.86 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -173.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.3 t -94.9 128.9 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.1 t -116.34 135.51 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.0 t80 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.837 -174.905 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -103.7 139.94 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.4 HD12 HG22 ' A' ' 66' ' ' ILE . 45.2 pt -136.96 155.3 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -108.13 144.78 35.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 170.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.6 t -123.13 134.32 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -88.44 119.7 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.514 HG22 HD11 ' A' ' 72' ' ' ILE . 46.3 t -100.58 115.85 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 -175.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 96.0 mttt -104.95 117.55 34.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -176.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -109.8 158.25 35.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 162.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.41 -26.33 76.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.227 . . . . 0.0 112.288 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.0 p -105.59 -20.02 13.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -174.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -158.12 160.21 37.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -172.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.407 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 82.6 mt-30 -139.81 150.0 44.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 172.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -164.31 166.56 20.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.5 p -111.12 150.02 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.158 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.6 m -128.54 155.75 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -109.38 121.35 45.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.25 170.41 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -100.28 141.07 33.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 176.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -66.25 -25.09 66.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -175.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.0 p -92.04 -7.62 48.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -79.29 157.6 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 67.3 p -83.74 167.48 17.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -174.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.19 -33.61 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 p -62.12 -29.09 70.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.6 m -71.29 -39.32 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.1 -40.43 97.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 173.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.09 -37.92 89.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.2 -43.61 92.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -62.31 -40.98 98.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.0 -40.23 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 172.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -66.58 -34.42 77.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.8 -42.65 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.069 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.3 t -76.05 -39.98 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -94.65 179.95 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -173.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -115.72 21.79 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -114.72 129.78 24.69 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -53.69 144.98 51.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 0.0 112.357 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.56 -36.85 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.53 -21.75 65.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.948 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -99.81 -37.68 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -64.99 134.31 53.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -106.28 138.6 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.6 tp -127.92 119.04 24.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -119.35 142.45 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' C ' ' A' ' 50' ' ' SER . 18.4 t80 -115.06 134.77 54.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.9 t -29.54 103.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.774 176.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.79 -84.57 0.73 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.3 mt -93.82 129.06 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 111.141 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.39 135.67 45.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.33 61.61 6.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.25 -36.43 77.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -171.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -85.45 113.26 21.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -171.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -64.75 -34.5 78.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -97.05 -6.93 34.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -166.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -74.37 141.54 45.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 98.4 m-20 -74.83 149.45 39.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -174.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 97.0 mt -60.3 -42.81 96.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -60.45 -37.61 81.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.779 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -67.33 -29.92 69.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -177.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -80.67 -19.96 44.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.53 27.17 8.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.462 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.4 ' HB ' ' HB3' ' A' ' 61' ' ' LEU . 39.6 mm -79.9 116.54 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.975 0.417 . . . . 0.0 111.117 178.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.7 p -107.48 -177.36 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 -173.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.73 -15.9 63.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -110.47 16.84 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.1 t -55.38 133.87 49.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -121.7 118.09 28.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.514 HD11 HG22 ' A' ' 10' ' ' VAL . 47.3 pt -119.08 142.92 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -176.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.9 t -107.7 126.1 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.73 135.14 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 -168.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -178.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.879 0.371 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -105.01 143.44 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 174.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.409 HD12 HG22 ' A' ' 66' ' ' ILE . 42.6 pt -137.14 153.31 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -178.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -105.0 146.11 29.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 173.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.5 t -123.61 131.8 72.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.7 m -87.77 120.38 29.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 72' ' ' ILE . 44.6 t -99.81 113.87 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 -177.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -105.91 115.43 30.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -174.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -105.22 157.96 33.19 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.927 164.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -62.1 -24.93 76.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -107.46 -19.99 13.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -174.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -157.25 160.1 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.87 -172.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -138.93 148.9 44.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -162.62 165.13 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -111.2 150.28 29.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.199 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.82 158.46 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -111.95 124.65 52.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.01 170.73 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.9 t70 -94.78 146.61 24.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -65.13 -33.18 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.3 p -89.44 -7.68 54.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 -172.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 64.4 mm-40 -78.7 156.63 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.917 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 74.4 p -85.03 170.0 13.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.36 -19.84 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -62.32 -29.82 70.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.3 m -73.94 -37.56 64.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 173.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.6 tp -65.07 -46.33 81.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -69.09 -31.59 70.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.4 -43.62 83.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.874 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -62.83 -41.36 99.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.23 -40.96 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 175.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -66.51 -36.63 83.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.0 -43.2 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.3 t -72.83 -40.06 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -94.44 -179.9 5.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -175.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -115.8 20.96 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.4 m -110.7 129.33 24.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.532 0.682 . . . . 0.0 111.114 -176.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -53.28 142.87 55.39 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.774 2.316 . . . . 0.0 112.341 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.3 mt -58.78 -37.32 65.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.48 -21.73 66.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -99.91 -35.97 9.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -65.27 132.46 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -103.92 134.93 46.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.5 tp -124.48 117.91 25.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -170.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -123.23 141.63 51.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.462 ' O ' ' C ' ' A' ' 50' ' ' SER . 17.5 t80 -115.54 135.31 54.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.6 t -31.06 103.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.78 -81.63 0.58 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.519 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.8 mt -95.8 128.5 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.074 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.46 136.08 42.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.868 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.8 mt -85.02 61.91 7.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.02 -36.86 24.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 -167.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -91.8 125.82 36.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -169.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -70.07 -36.75 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -78.25 -12.45 60.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -170.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -80.02 140.02 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-80 -82.49 156.91 23.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -176.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.29 -41.62 84.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.024 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -61.64 -38.81 89.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.11 -29.1 69.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -80.74 -18.58 47.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.867 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.76 27.37 17.11 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -173.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.409 HG22 HD12 ' A' ' 6' ' ' ILE . 35.0 mm -79.24 116.87 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.922 0.392 . . . . 0.0 111.167 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.0 p -110.58 -179.14 3.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 -175.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.05 -23.73 62.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -108.41 16.8 22.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -175.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.4 t -55.95 135.45 52.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -120.51 116.95 26.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.883 174.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.49 HD11 HG22 ' A' ' 10' ' ' VAL . 46.9 pt -116.54 143.4 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.76 126.32 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.97 134.87 65.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.875 -179.059 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -105.56 146.85 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 173.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 pt -137.31 154.42 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -112.09 140.35 46.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.0 t -116.85 134.73 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.5 m -86.1 118.08 25.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.521 HG22 HD11 ' A' ' 72' ' ' ILE . 52.3 t -96.66 114.99 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 97.8 mttt -105.91 114.46 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 95.0 m-85 -104.93 159.41 29.44 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.656 0.741 . . . . 0.0 110.894 161.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 27.4 Cg_endo -61.26 -24.96 79.86 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.725 2.284 . . . . 0.0 112.275 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.7 p -117.76 -13.06 10.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -173.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -151.0 151.64 32.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 82.2 mt-30 -138.92 149.51 44.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 171.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -164.94 164.97 20.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.7 m -110.63 141.1 44.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.22 -175.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.6 m -124.4 153.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -108.71 125.06 51.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -176.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.1 m -136.59 169.03 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.458 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 9.7 t70 -96.51 151.73 19.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 178.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -63.45 -35.22 79.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -86.58 -5.13 59.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 -172.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 55.2 mm-40 -82.59 157.99 23.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.917 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 66.0 p -87.86 172.26 9.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 m -66.22 -24.9 34.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -66.55 -29.43 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.8 m -71.43 -38.97 71.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 172.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.4 -40.35 96.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 171.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -66.82 -36.97 83.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.4 -43.56 92.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 175.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -61.89 -41.27 97.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.76 -40.26 87.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -65.89 -35.29 80.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.833 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.31 -42.48 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.09 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.7 t -74.98 -40.0 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -92.95 179.94 5.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -115.68 20.57 14.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.0 m -113.15 129.65 24.34 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.541 0.686 . . . . 0.0 111.109 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.53 144.9 49.67 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.633 2.222 . . . . 0.0 112.404 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 95.6 mt -59.77 -37.32 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.91 -20.81 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -99.98 -37.97 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.08 134.86 54.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -106.51 136.72 45.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.5 tp -124.74 115.3 20.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -171.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -114.17 137.63 51.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' SER . 34.6 t80 -115.0 136.27 53.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 175.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.1 t -23.7 102.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.807 173.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.11 -75.06 0.6 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.4 mt -98.95 131.03 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.123 -173.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -76.29 135.73 39.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 172.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 66.4 mt -93.7 70.24 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -170.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.61 -15.27 19.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -169.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -101.71 116.11 32.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -75.95 -29.36 58.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -174.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -78.13 -11.96 59.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -175.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -85.16 137.36 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 20.1 p30 -95.81 166.33 11.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -172.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.54 -37.16 75.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -174.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.1 -37.05 86.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.18 -28.0 68.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -89.35 -7.26 55.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.08 32.45 35.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -176.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.1 mm -76.77 111.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.962 0.411 . . . . 0.0 111.115 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.9 p -105.09 -178.47 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.206 -172.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.49 -26.04 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -110.37 22.94 14.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -173.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.7 t -53.99 129.8 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -176.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -113.4 116.3 29.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 174.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.521 HD11 HG22 ' A' ' 10' ' ' VAL . 40.0 pt -119.19 142.65 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.4 t -109.0 126.87 66.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.0 t -121.08 135.13 62.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -168.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.906 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -105.35 144.08 32.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 pt -136.55 154.4 32.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -103.93 149.5 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 172.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.18 130.01 73.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -87.53 120.06 28.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.519 HG22 HD11 ' A' ' 72' ' ' ILE . 42.4 t -99.8 114.57 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.164 -177.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.79 115.58 30.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -175.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -104.36 159.48 29.17 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 162.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -61.33 -25.3 80.09 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.666 2.244 . . . . 0.0 112.298 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.1 p -120.7 -11.33 9.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -144.53 149.69 36.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -172.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -140.01 146.31 38.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -165.0 164.82 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 173.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.2 p -113.02 149.98 32.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.164 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.73 158.29 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -112.29 124.15 51.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.2 m -137.04 170.74 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -92.75 146.56 23.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -65.36 -32.63 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -89.8 -5.21 57.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.157 -173.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -79.95 158.95 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.0 p -89.53 168.61 12.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.235 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -65.12 -19.99 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.4 p -61.96 -30.16 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.1 m -75.06 -37.4 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 172.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.88 -45.37 86.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -68.74 -31.57 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -58.53 -43.78 89.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 173.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -62.04 -41.35 98.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.59 -41.85 91.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -67.87 -35.66 78.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.08 -42.93 95.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.2 t -71.98 -40.55 67.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -95.04 -175.6 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -175.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -124.2 22.59 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.7 m -113.24 130.45 23.62 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.544 0.687 . . . . 0.0 111.143 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -54.09 143.76 61.09 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.65 -35.75 61.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.11 -21.82 66.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.12 -26.37 14.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.974 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -76.21 133.24 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -106.33 133.4 51.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.8 tp -119.82 110.62 16.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -170.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -116.07 138.88 50.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.475 ' O ' ' C ' ' A' ' 50' ' ' SER . 24.0 t80 -115.02 137.15 52.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 175.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.9 t -28.79 103.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.814 175.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.24 -79.57 0.52 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.57 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.2 mt -96.79 131.02 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.1 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -74.34 134.41 42.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 173.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.0 mt -85.78 64.15 8.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -172.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.98 -29.68 19.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 -167.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -93.93 118.85 32.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -170.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -68.76 -35.62 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -174.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -78.24 -12.65 60.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -80.11 139.71 36.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -83.82 157.29 22.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.82 -41.14 86.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -61.36 -39.08 89.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.33 -27.73 67.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -79.98 -18.65 49.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.33 29.12 15.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.455 -173.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.9 mm -79.78 114.39 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 111.063 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.0 p -103.92 178.65 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.04 -27.04 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -110.09 19.3 19.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -175.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 88.6 p -56.21 145.46 26.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -126.26 118.35 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.519 HD11 HG22 ' A' ' 10' ' ' VAL . 45.3 pt -115.94 143.29 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.2 t -108.69 127.11 65.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.21 130.82 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -170.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.959 -176.326 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.916 0.389 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -103.41 134.9 46.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.3 pt -137.59 152.82 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 175.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -105.43 144.64 31.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 171.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.88 130.64 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.097 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.6 m -86.11 119.71 26.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.512 HG22 HD11 ' A' ' 72' ' ' ILE . 39.8 t -97.61 114.22 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -177.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -105.44 116.27 31.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -175.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.405 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 89.5 m-85 -106.28 160.06 27.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.663 0.744 . . . . 0.0 110.939 163.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 31.2 Cg_endo -62.49 -25.55 75.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.257 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p -115.74 -15.16 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.982 0.42 . . . . 0.0 110.821 -172.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -152.89 160.86 43.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.888 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -141.53 149.47 40.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 172.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -162.8 165.07 25.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -111.25 150.09 30.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -175.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.97 158.62 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 175.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -114.19 122.87 48.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.09 168.74 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -90.72 141.24 29.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 178.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -66.8 -33.83 76.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.7 p -88.8 -5.91 57.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 -174.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -83.62 156.41 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 81.1 p -82.21 169.84 16.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.196 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.1 m -66.68 -21.15 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.085 -176.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -61.55 -30.72 70.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -71.29 -41.02 70.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.38 -47.38 86.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -69.92 -34.75 73.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.64 -46.39 90.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.59 -38.59 84.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.77 -38.3 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 171.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -66.32 -37.5 85.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.64 -39.94 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.9 t -68.67 -40.79 82.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -94.38 -177.94 4.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -121.6 26.51 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -109.81 127.44 27.12 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 111.111 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -52.92 143.42 49.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.785 2.324 . . . . 0.0 112.358 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.72 -37.4 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.123 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.8 -21.04 66.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.03 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -99.94 -34.48 10.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 63.0 ttp -74.74 134.22 41.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -106.48 134.69 49.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.5 tp -115.12 117.93 31.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -121.47 140.63 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.481 ' O ' ' C ' ' A' ' 50' ' ' SER . 19.0 t80 -115.17 135.65 53.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.9 t -28.16 103.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.818 174.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.12 -76.92 0.52 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.569 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.5 mt -99.62 130.69 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.037 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -75.36 135.86 40.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.9 mt -85.31 66.62 9.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.944 -174.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.77 -23.46 18.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.144 -170.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -88.96 112.72 23.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.12 -30.23 70.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.39 -10.5 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -170.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -81.08 133.22 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.83 175.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.2 m-80 -79.55 156.97 27.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -171.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.23 -42.84 96.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.958 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -55.5 -45.24 77.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 172.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.08 -30.06 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -77.69 -19.38 55.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.02 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.8 29.05 13.97 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.42 -175.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.0 mm -83.19 116.93 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.966 0.412 . . . . 0.0 111.118 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.5 p -108.88 -177.27 3.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.42 -17.76 64.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -109.06 16.29 22.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.942 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.0 t -55.15 133.28 48.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -116.63 114.92 24.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 174.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.512 HD11 HG22 ' A' ' 10' ' ' VAL . 45.5 pt -119.36 143.42 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -177.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.0 t -109.56 130.11 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -121.56 134.07 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -172.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -175.457 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.812 0.339 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -105.61 144.89 31.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.3 pt -135.79 150.01 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 176.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -101.13 147.59 26.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.6 t -123.51 128.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -88.51 118.41 28.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.493 HG22 HD11 ' A' ' 72' ' ' ILE . 36.4 t -101.46 114.42 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.224 -174.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -108.73 112.63 25.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -174.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.574 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 50.9 m-85 -94.43 165.95 16.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 162.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.574 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 22.5 Cg_endo -62.23 -28.13 78.96 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.651 2.234 . . . . 0.0 112.274 -177.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.3 p -133.25 12.77 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -154.26 149.33 26.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -139.73 145.67 38.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 173.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -161.39 162.42 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 172.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.6 p -112.53 149.87 32.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.224 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -131.12 158.29 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 176.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -113.14 124.21 52.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.38 168.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -175.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -90.0 144.33 26.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -65.52 -32.92 74.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -90.05 -5.41 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -173.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -80.63 158.56 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 80.7 p -88.73 170.04 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.202 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.78 -21.93 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.9 p -65.12 -29.93 70.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.1 m -72.39 -37.99 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 172.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.74 -47.92 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -68.98 -32.91 72.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -174.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.79 -45.39 94.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.93 -38.28 85.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.02 -39.12 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 172.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -65.83 -36.79 84.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.71 -40.08 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.9 -39.9 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -94.85 -176.6 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -124.14 27.96 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.1 m -114.32 129.81 24.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.599 0.714 . . . . 0.0 111.054 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.54 141.35 63.07 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.33 -34.23 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.14 -22.98 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -97.95 -36.35 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.7 ttm -69.79 132.94 46.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -104.4 136.47 43.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.3 tp -121.16 118.14 28.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -171.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -127.26 143.3 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.462 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.6 t80 -115.14 136.57 52.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 175.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.1 t -30.71 103.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.67 -82.95 0.62 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.47 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.6 mt -94.69 131.18 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 111.095 -175.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -74.43 135.03 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.8 mt -84.71 62.76 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.977 -177.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.48 -22.71 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -170.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -92.71 112.06 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -175.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -64.85 -31.5 72.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -94.53 -7.91 39.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -169.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -81.44 134.12 35.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 72.5 m-80 -79.52 156.58 27.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -169.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.85 -41.37 91.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.43 -41.69 94.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.63 -30.27 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -77.67 -19.93 54.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.913 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.02 30.06 13.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -175.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.3 mm -81.71 114.26 22.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.956 0.408 . . . . 0.0 111.115 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -100.59 179.17 4.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.198 -172.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.34 -27.56 67.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -110.33 21.0 17.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -175.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 99.3 p -57.36 144.89 34.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -175.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -124.65 120.47 31.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 10' ' ' VAL . 40.0 pt -116.64 143.43 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -101.17 125.22 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.02 130.08 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.038 -175.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -169.88 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.813 0.339 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -104.02 144.19 31.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 172.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.6 pt -136.48 151.08 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -102.52 146.18 28.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 173.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -124.64 131.03 73.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -87.07 119.31 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.527 HG22 HD11 ' A' ' 72' ' ' ILE . 38.4 t -99.82 112.94 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -176.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.7 mttt -105.14 118.28 36.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -174.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -104.55 163.79 16.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.737 0.779 . . . . 0.0 110.843 166.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -53.34 -36.42 78.58 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p -122.79 -4.48 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -168.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -157.7 162.52 38.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -172.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 83.7 mt-30 -142.22 149.92 40.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.789 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -139.08 156.25 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.1 m -106.04 137.1 44.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.208 172.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.9 m -127.95 158.09 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.135 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -118.82 128.07 54.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.3 m -136.09 170.74 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.027 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.84 144.82 25.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -64.97 -32.72 74.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -87.61 -5.37 58.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -173.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -81.9 159.15 23.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.961 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 78.4 p -89.44 171.21 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.99 -22.5 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.3 p -64.63 -30.01 71.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -71.99 -38.97 69.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 172.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.5 -47.31 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -70.08 -34.22 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.45 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.792 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -67.54 -38.5 84.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.69 -38.05 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 172.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -66.24 -37.98 86.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.34 -39.57 85.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.54 -39.71 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -94.97 -173.37 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -126.79 24.99 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.1 m -111.78 129.39 24.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.61 0.719 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -52.6 142.5 49.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.777 2.318 . . . . 0.0 112.329 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.75 -37.3 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.6 -21.17 66.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -99.82 -37.06 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.3 ttp -68.32 134.29 50.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -105.5 137.54 43.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.6 tp -122.65 119.01 29.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -173.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -123.7 141.79 51.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.4 t80 -115.22 136.16 53.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 175.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.8 t -27.1 103.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.812 174.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.7 -77.61 0.55 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.8 mt -99.41 132.07 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.741 0.305 . . . . 0.0 111.153 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -74.25 136.51 42.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 178.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.6 mt -85.59 64.16 8.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.13 -26.95 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -170.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -92.75 116.74 29.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -172.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -68.62 -31.41 70.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -91.41 -9.28 45.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -172.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -86.67 124.34 32.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.887 171.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 18.4 p30 -89.31 165.78 14.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -165.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 94.4 mt -57.59 -38.12 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -172.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -65.13 -39.01 92.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.97 -31.69 72.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -79.49 -17.93 53.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.953 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.34 31.12 10.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.439 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.414 ' HB ' ' HB3' ' A' ' 61' ' ' LEU . 47.2 mm -81.41 113.41 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.99 0.424 . . . . 0.0 111.143 -178.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.5 p -107.51 -177.36 3.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.146 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.81 -18.52 64.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -110.1 19.21 19.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 t -54.36 133.38 45.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -175.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -117.71 115.44 25.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 174.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.527 HD11 HG22 ' A' ' 10' ' ' VAL . 46.1 pt -119.59 143.88 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.4 t -108.13 129.15 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.165 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.44 129.82 75.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -177.533 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -105.25 141.82 36.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 pt -138.58 154.56 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -111.84 124.25 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 170.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.7 t -107.59 137.61 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 -174.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -87.67 117.05 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.48 HG22 HD11 ' A' ' 72' ' ' ILE . 59.9 t -96.73 114.98 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -105.14 116.13 31.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -176.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -102.14 163.74 17.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 167.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -52.71 -35.75 69.83 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.365 -178.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.8 p -123.04 -9.96 8.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -171.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -142.04 160.29 40.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -170.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -137.77 145.36 42.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 172.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -140.68 155.14 46.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.8 m -105.93 137.01 44.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.5 151.6 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.123 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -111.15 122.08 46.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.98 169.79 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.144 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -103.09 142.37 34.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -65.68 -26.1 67.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.6 p -90.73 -8.74 48.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -79.19 156.66 28.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 64.4 p -82.25 166.97 19.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 -176.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.79 -34.71 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.6 p -60.38 -30.79 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -68.37 -40.13 81.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.692 ' O ' HD23 ' A' ' 30' ' ' LEU . 3.5 tt -64.25 -40.28 95.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 174.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.87 -36.69 85.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -57.39 -44.36 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.837 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -62.94 -41.61 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.77 -40.68 89.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 174.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -66.7 -34.24 77.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.34 -42.47 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.108 176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.3 t -72.12 -40.77 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -95.75 -176.88 3.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -121.37 27.99 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.2 m -114.84 129.81 24.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 111.119 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.21 142.81 44.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.23 -34.19 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.75 -21.79 66.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.34 -33.91 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -72.47 134.87 45.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -109.63 133.0 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.817 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.8 tp -117.22 119.81 36.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -174.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -117.76 142.43 47.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.009 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 19.7 t80 -115.33 135.2 54.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 176.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.1 t -28.3 103.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 175.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.67 -81.99 0.6 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.5 mt -97.07 130.66 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.312 . . . . 0.0 111.094 -176.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -74.17 134.98 42.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.28 65.41 9.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.942 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.76 -19.88 26.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -169.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -91.57 109.09 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -65.21 -37.79 88.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 -170.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.35 -5.68 42.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -168.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -74.66 140.1 44.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 97.9 m-20 -75.01 149.9 39.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -172.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.39 -41.27 96.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -61.11 -38.0 84.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -67.63 -30.21 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -79.96 -20.05 46.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.61 28.44 8.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.426 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.93 111.28 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.409 . . . . 0.0 111.149 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.7 p -101.46 -178.95 3.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.119 -171.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.28 -30.4 64.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -110.1 23.86 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -173.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t -53.74 132.13 40.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.842 -175.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -111.36 117.78 34.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.48 HD11 HG22 ' A' ' 10' ' ' VAL . 41.1 pt -121.32 142.52 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.036 -178.002 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.7 t -110.77 129.83 65.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -119.92 129.98 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -170.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 178.847 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.879 0.371 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -104.9 144.41 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 172.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.3 pt -137.4 154.85 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -113.76 142.85 45.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 170.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.54 135.41 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.5 m -86.55 118.43 25.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.527 HG22 HD11 ' A' ' 72' ' ' ILE . 48.2 t -98.04 114.8 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -177.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.26 115.63 30.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -106.26 157.87 33.9 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.678 0.752 . . . . 0.0 110.86 162.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.67 -24.72 78.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.257 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.3 p -97.33 -29.3 13.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.796 -174.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -165.02 162.67 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -130.78 150.03 52.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -161.57 165.0 29.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.3 p -109.17 150.22 28.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.225 -177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -128.64 151.93 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.068 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -107.08 122.22 46.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.86 169.69 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -90.99 145.7 24.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.28 -34.89 79.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -88.27 -5.41 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -173.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -80.08 158.92 26.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 79.9 p -85.65 172.55 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -65.8 -21.48 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 -175.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -64.24 -32.44 74.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.752 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 m -71.17 -37.33 72.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 173.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD21 HD13 ' A' ' 72' ' ' ILE . 54.6 tp -62.86 -39.24 93.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 172.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -68.4 -36.07 78.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -58.19 -46.05 86.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.83 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.42 -41.27 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.61 -40.63 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 173.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -68.17 -35.35 77.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.7 mt -63.86 -43.09 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.3 t -73.6 -39.17 53.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -94.28 -177.34 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -122.93 22.59 9.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.9 m -112.92 129.92 24.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.734 . . . . 0.0 111.049 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -52.5 143.08 46.51 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.629 2.219 . . . . 0.0 112.346 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.1 -35.86 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.42 -20.97 66.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -100.3 -32.46 10.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -70.49 132.73 45.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -104.85 133.11 50.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.6 tp -118.05 111.07 18.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -173.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -114.6 139.36 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' O ' ' C ' ' A' ' 50' ' ' SER . 28.4 t80 -115.82 135.68 53.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 174.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.2 t -27.7 103.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 174.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.99 -83.47 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.568 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.4 mt -96.01 131.6 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 111.04 -173.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -74.86 136.25 41.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.4 mt -90.21 66.75 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.917 -171.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.71 -18.32 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -166.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -89.32 113.2 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -173.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.66 -31.48 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -174.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -94.8 -9.02 35.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.031 -170.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -83.51 132.3 34.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.854 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.6 m-80 -79.91 157.64 26.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -171.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.82 -40.86 89.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.991 175.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -61.22 -41.49 96.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.46 -29.99 70.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.24 -19.52 50.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.83 28.2 19.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -177.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mm -81.9 121.29 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.971 0.415 . . . . 0.0 111.122 -178.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.6 p -109.86 -170.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 -173.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -78.58 -11.55 59.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -116.21 -1.67 12.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.3 m -63.81 134.68 55.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.785 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -110.13 129.29 55.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.838 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.527 HD11 HG22 ' A' ' 10' ' ' VAL . 42.3 pt -117.37 143.49 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.083 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -108.25 125.89 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -120.07 134.37 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -169.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -177.696 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.824 0.345 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.9 149.3 28.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.841 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.7 pt -135.89 149.85 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -98.93 142.62 30.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -125.07 128.9 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.7 m -95.06 113.97 25.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -100.07 116.46 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -174.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -100.04 124.73 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -106.81 164.48 14.75 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.583 0.706 . . . . 0.0 110.912 172.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.08 -38.75 80.94 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 -175.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -120.17 -9.01 9.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -170.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -151.41 165.04 35.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -171.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -131.43 155.16 47.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -159.04 142.84 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p -107.93 147.98 30.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.187 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.59 162.39 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.088 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -117.2 126.37 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.52 168.47 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -91.75 144.16 25.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -65.35 -32.99 74.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -176.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.0 p -89.83 -6.74 55.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.94 158.13 26.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 67.4 p -90.1 169.96 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 m -65.82 -20.1 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.7 p -62.48 -29.47 70.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.5 m -74.13 -39.36 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.94 -46.86 85.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -69.59 -34.64 74.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.69 -45.12 95.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -67.48 -39.68 85.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.94 -38.02 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 172.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -67.08 -39.18 86.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.78 -40.07 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.2 t -70.73 -38.64 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.077 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -95.03 -175.18 3.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -119.54 18.34 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 174.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 96.7 m -100.97 127.56 31.78 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.536 0.684 . . . . 0.0 111.136 -177.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 74.7 Cg_exo -53.75 140.7 66.68 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.68 -39.78 82.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.15 -21.4 66.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -175.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -101.51 -33.91 9.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -70.13 134.27 47.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -106.74 138.78 42.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HG ' HD12 ' A' ' 54' ' ' LEU . 32.7 tp -120.46 118.11 29.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -169.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -122.68 136.3 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -170.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.583 ' O ' ' C ' ' A' ' 50' ' ' SER . 3.8 t80 -110.56 118.51 36.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 176.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.583 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.7 t -22.04 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.1 -63.77 0.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.3 pt -115.96 148.75 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.353 . . . . 0.0 111.073 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -83.27 141.26 31.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 176.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.442 HD12 ' HG ' ' A' ' 47' ' ' LEU . 85.5 mt -88.95 66.15 7.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.973 -175.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.23 -21.45 25.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -165.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -96.19 111.07 23.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -172.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -31.76 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 -173.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.71 -5.88 50.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -169.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -83.05 132.95 35.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.0 m-80 -80.1 155.8 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -169.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.28 -42.38 77.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -62.69 -39.63 94.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.83 -29.28 69.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -74.86 -19.99 59.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.17 25.77 32.96 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 -172.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -84.67 124.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 111.133 -177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.402 ' H ' ' HB2' ' A' ' 70' ' ' SER . 40.7 p -114.02 -168.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -170.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -77.55 -11.97 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -110.98 11.07 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.402 ' HB2' ' H ' ' A' ' 67' ' ' THR . 30.6 t -64.62 135.41 55.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -172.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -102.61 122.13 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 169.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.0 mm -114.57 124.8 71.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.5 t -99.98 129.09 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 -173.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -108.44 128.23 64.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 177.277 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.844 0.355 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.58 143.03 35.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.4 pt -136.97 152.78 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.103 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -113.64 141.91 46.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 171.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.38 135.23 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.0 m -87.16 118.47 26.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.54 HG22 HD11 ' A' ' 72' ' ' ILE . 57.3 t -96.49 115.33 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -177.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.1 mttt -105.1 115.62 30.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -177.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -106.28 157.75 34.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.736 . . . . 0.0 110.828 160.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -60.92 -24.14 78.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.0 p -98.02 -29.72 13.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -165.22 161.96 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.451 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 86.3 mt-30 -130.59 152.21 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 176.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -161.07 164.52 30.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 176.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m -109.49 142.3 40.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.174 -174.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.7 m -124.33 151.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.102 177.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -108.2 123.56 48.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.4 169.37 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 8.8 t70 -95.84 148.44 22.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 178.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.42 -33.55 76.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.6 p -84.32 -5.04 59.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -174.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG3' ' HB3' ' A' ' 22' ' ' ASP . 94.6 mt-10 -84.11 158.26 21.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 30.0 p -85.79 177.42 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 174.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.05 -18.08 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.076 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -55.3 -44.3 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.7 p -71.0 -33.59 70.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.403 HD21 HD13 ' A' ' 72' ' ' ILE . 56.1 tp -64.8 -40.07 94.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.964 174.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.05 -37.55 81.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -57.31 -46.77 82.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -64.66 -41.43 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.03 -39.92 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 173.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -66.23 -35.82 81.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.31 -42.7 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.112 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.9 t -75.06 -39.97 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -92.87 -179.99 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -173.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -115.34 18.66 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.0 m -112.15 129.8 23.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.564 0.697 . . . . 0.0 111.134 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -53.47 144.13 52.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.1 -37.03 76.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.96 -20.71 66.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -100.44 -36.58 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -65.93 132.49 48.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -105.18 138.99 40.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.4 tp -126.73 111.54 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -167.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -113.35 139.1 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.5 ' O ' ' C ' ' A' ' 50' ' ' SER . 23.9 t80 -116.63 135.13 54.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 175.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.5 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.6 t -26.14 102.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.851 175.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.85 -80.0 0.55 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.8 mt -97.25 131.79 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.839 0.352 . . . . 0.0 111.106 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -74.81 138.26 42.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.7 mt -91.54 66.22 5.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -170.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.69 -25.25 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -168.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -91.68 113.19 25.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.55 -30.01 68.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.802 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -96.03 -8.94 32.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -170.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -79.97 133.18 36.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.3 m-80 -76.07 155.5 34.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -169.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.8 -40.53 80.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -62.08 -40.8 97.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 177.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.98 -30.53 71.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -80.02 -18.98 48.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.02 27.52 13.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.511 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -80.98 119.09 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.953 0.406 . . . . 0.0 111.099 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.0 p -112.27 -169.9 1.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.237 -174.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.15 -6.02 53.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -113.93 13.41 18.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.5 t -53.24 126.25 20.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.869 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -109.84 114.78 28.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.828 173.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.54 HD11 HG22 ' A' ' 10' ' ' VAL . 44.3 pt -119.19 142.39 34.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.2 t -107.96 126.79 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 175.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.7 t -119.84 134.28 63.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.12 -169.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -178.768 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -93.64 149.91 20.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.824 -175.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 pt -137.47 158.54 34.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 173.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -103.97 140.85 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 171.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -125.79 132.61 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.073 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -96.36 114.48 26.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.423 HG12 ' CE1' ' A' ' 12' ' ' PHE . 47.0 t -112.01 121.22 64.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -111.85 123.19 49.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 -169.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.613 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 1.2 m-85 -108.77 163.55 16.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.952 171.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.613 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 41.6 Cg_endo -63.78 -27.49 67.93 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.422 176.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 98.8 p -97.3 -26.39 14.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -175.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -167.25 151.8 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.957 -172.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -127.64 149.39 50.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 175.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -164.95 169.18 16.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -112.57 153.07 28.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.4 m -130.17 159.64 42.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -107.87 118.44 36.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 177.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 m -136.06 174.13 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 -174.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -104.57 138.45 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 176.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.79 -23.58 64.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -176.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.7 p -92.91 -8.71 42.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -79.14 156.26 28.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 173.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 60.9 p -77.73 163.16 26.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 54' ' ' LEU . 9.9 p -63.57 -21.82 29.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -177.046 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p -66.79 -27.43 67.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.9 m -68.73 -38.8 80.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.3 tp -62.68 -40.98 98.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 172.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.59 -36.76 85.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.47 -42.89 99.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 175.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.4 -41.84 97.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.0 mt -62.69 -39.97 86.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -67.17 -34.23 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -69.73 -45.9 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.95 -45.66 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -98.38 143.8 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -85.21 63.06 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -152.16 140.0 13.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 111.185 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.08 147.47 73.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.85 -34.03 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.07 -26.26 67.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -89.19 -37.27 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.461 ' SD ' ' HB2' ' A' ' 47' ' ' LEU . 19.3 tmm? -71.75 128.89 37.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 177.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -105.42 122.33 45.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.461 ' HB2' ' SD ' ' A' ' 45' ' ' MET . 41.6 tp -118.13 119.46 34.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -172.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -138.28 148.91 45.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -126.11 137.48 53.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -173.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.3 t -38.84 129.75 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.38 -96.85 2.26 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.441 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.3 mt -94.24 128.49 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.117 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -72.61 134.86 45.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 177.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.444 ' HB3' HG21 ' A' ' 27' ' ' VAL . 62.2 mt -85.9 61.87 7.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -172.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.64 -13.6 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -173.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -101.87 110.98 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.35 -29.99 71.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -173.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -87.29 -7.36 57.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -165.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -82.02 145.96 29.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.575 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 75.2 m-80 -84.45 156.04 21.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.86 -43.54 98.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.93 -35.18 79.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 173.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -64.04 -32.36 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -77.97 -16.2 58.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.93 24.36 45.44 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.553 -174.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 92.6 mt -82.02 126.19 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.077 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.0 p -109.04 -177.57 3.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -171.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -72.71 -12.89 61.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -111.65 -3.72 14.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.6 m -68.8 140.04 55.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.54 129.9 55.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 68.6 mt -117.63 131.28 70.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -177.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.37 136.21 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -166.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.0 t -112.2 136.58 47.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.179 -176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.1 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 171.69 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -97.21 156.82 16.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.7 mt -130.11 141.02 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 172.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -95.05 136.73 35.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.3 t -123.17 131.75 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -94.92 119.93 34.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.063 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -102.09 114.58 41.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -109.48 115.98 30.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -169.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -105.43 159.82 28.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.669 0.747 . . . . 0.0 110.846 167.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -63.08 -25.1 73.29 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.754 2.303 . . . . 0.0 112.311 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -117.23 -12.38 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -171.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -157.03 165.69 35.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -151.55 141.48 22.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -157.35 163.66 38.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.8 p -114.38 150.81 34.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.16 160.21 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -112.71 126.72 55.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.47 166.84 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.497 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.8 t70 -94.33 147.76 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 172.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -68.08 -26.49 65.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -176.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.4 p -91.58 -7.13 51.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -173.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.497 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 65.9 mm-40 -79.98 154.55 28.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 177.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 81.0 p -83.53 165.02 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.072 -178.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.76 -23.57 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -61.01 -38.58 86.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 175.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -65.07 -38.31 90.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.9 tp -62.27 -43.32 99.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 175.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.6 -39.81 92.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.778 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.95 -45.93 90.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.863 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -68.82 -34.41 75.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.18 -40.01 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.023 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -36.14 83.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.8 -39.18 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.13 -39.28 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -90.1 -179.52 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -119.82 39.42 3.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 176.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.3 t -134.93 140.06 33.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 111.2 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.58 145.34 75.94 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.0 pt -66.39 -22.99 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.107 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.84 -25.85 63.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -102.02 -36.33 8.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.7 ttp -64.21 135.23 56.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -106.82 135.9 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.8 tp -117.06 119.43 35.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -122.1 135.75 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.016 -172.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' SER . 57.7 m-85 -102.55 126.68 49.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 171.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' TYR . 40.5 t -33.88 102.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 173.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.19 -60.35 0.33 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' TYR . 93.2 mt -115.69 134.45 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.846 0.355 . . . . 0.0 111.108 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -91.23 111.88 23.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.7 tp -83.66 115.66 22.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.67 6.13 21.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -96.9 106.18 18.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.93 -27.31 68.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -176.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -91.04 -2.68 57.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -170.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -69.99 127.34 32.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 68.7 m-80 -78.34 149.63 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.89 -43.47 83.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -173.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -63.65 -40.36 96.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.52 -30.69 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -77.94 -24.77 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.43 39.28 6.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 169.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.3 pt -83.26 151.5 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.897 0.379 . . . . 0.0 111.05 173.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.4 p -116.54 -179.97 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -175.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.72 -28.03 65.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.779 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -106.18 19.71 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.6 t -61.21 128.38 36.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -107.08 116.57 32.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 173.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.7 mt -120.73 131.3 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -175.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -100.88 129.25 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.206 -172.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.32 130.97 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 -177.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.935 0.398 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.65 156.11 18.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 175.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.7 pt -128.46 156.98 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -119.84 139.9 51.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.04 149.34 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -91.08 116.86 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.18 114.48 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -106.99 118.38 36.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -169.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 72.4 m-85 -106.05 156.95 35.88 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.644 0.735 . . . . 0.0 110.894 165.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.2 -24.99 76.64 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.4 p -99.2 -25.0 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 63.8 pttt -165.53 160.8 18.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -174.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -131.61 150.63 52.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -157.66 161.31 38.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -102.54 150.0 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.097 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.9 t -127.73 140.7 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.068 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -95.97 116.35 28.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.926 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.9 m -134.99 170.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 -175.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -108.21 145.22 34.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 173.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -65.05 -25.15 67.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.8 p -92.44 -7.04 48.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -79.09 155.83 28.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 74.8 p -84.77 165.01 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -177.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.45 -29.94 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 73.8 p -60.03 -30.04 68.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.82 -179.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 m -67.98 -40.1 83.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.76 -41.04 96.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 173.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.4 -44.78 89.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.948 177.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -57.1 -45.04 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -63.33 -39.25 94.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.97 -41.96 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -66.95 -29.14 68.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.65 -39.25 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.4 t -79.09 -44.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.074 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -126.33 110.7 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -76.26 70.11 2.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.955 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 99.8 m -131.78 134.27 25.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.541 0.686 . . . . 0.0 111.201 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 87.5 Cg_exo -54.06 138.9 71.24 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.602 2.202 . . . . 0.0 112.42 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.6 tp -67.22 -23.56 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.77 -23.1 67.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -100.68 -37.53 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.1 mtp -74.9 144.96 43.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -108.36 131.18 55.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.4 tp -114.61 106.32 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -115.19 137.31 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 30.4 t80 -114.04 139.31 49.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 174.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.0 t -28.22 102.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 175.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.87 -73.6 0.63 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.499 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.4 mt -100.18 131.32 47.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.793 0.33 . . . . 0.0 111.127 -175.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -74.79 135.96 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 172.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.41 69.7 10.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.968 -170.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.12 -35.05 71.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -173.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -95.11 109.73 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -170.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 28' ' ' SER . 92.0 m-20 -67.19 -29.99 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -176.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -92.53 -5.78 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 -171.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -78.48 140.33 38.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.805 174.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 97.8 m-20 -74.98 151.03 38.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -173.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.21 -40.2 93.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -64.28 -39.18 93.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.79 -30.82 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -78.38 -19.96 52.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 176.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.57 30.32 19.02 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -177.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 49' ' ' TYR . 96.5 mt -86.61 122.29 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 111.089 -175.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.6 p -104.54 176.48 5.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -88.33 -0.6 57.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -111.24 -29.87 7.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.1 p -74.09 167.66 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -116.9 145.49 43.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.797 -167.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 90.6 mt -116.7 125.18 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.7 t -106.98 124.97 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -174.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.9 t -122.37 129.53 75.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 -175.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -177.885 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.859 0.362 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.62 144.1 33.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.5 pt -136.47 153.52 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.195 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -102.93 149.22 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.7 t -126.58 132.08 70.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.9 m -88.84 119.01 28.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.174 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.51 HG22 HD11 ' A' ' 72' ' ' ILE . 42.1 t -100.14 114.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -174.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.77 115.46 30.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.989 -175.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.416 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 94.5 m-85 -105.54 159.62 28.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.738 . . . . 0.0 110.886 164.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 21.4 Cg_endo -60.99 -26.97 84.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.227 -178.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -121.37 -8.07 9.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.843 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -145.14 148.79 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -172.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -141.04 146.13 36.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -167.76 165.54 14.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.8 p -111.37 150.04 30.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.188 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.81 157.75 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -112.26 124.21 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.9 m -135.07 168.19 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.159 -177.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -90.4 144.93 25.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -65.18 -33.52 76.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.7 p -90.11 -6.44 55.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -172.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -79.93 158.77 26.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 66.9 p -86.47 169.42 12.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.04 -22.38 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.9 p -65.74 -30.58 71.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.2 m -72.28 -36.75 69.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.418 HD21 HD13 ' A' ' 72' ' ' ILE . 61.7 tp -61.82 -39.64 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.848 170.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.0 -36.85 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 176.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -58.49 -45.31 88.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.816 177.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -63.35 -39.62 95.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.64 -41.41 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -66.16 -36.12 82.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.92 -42.53 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.08 -40.06 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -94.96 -178.85 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -175.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -118.16 24.91 10.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.7 m -115.74 128.5 25.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.504 0.668 . . . . 0.0 111.108 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -53.08 143.4 50.87 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.743 2.295 . . . . 0.0 112.317 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.07 -35.14 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.93 -22.75 66.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -99.57 -37.68 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.28 133.54 51.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -107.03 138.32 43.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.53 118.52 28.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -171.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -123.35 141.79 51.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.926 175.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.456 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.9 t80 -115.77 136.73 52.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.6 t -30.83 103.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.844 175.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.38 -82.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.0 mt -95.13 129.88 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.338 . . . . 0.0 111.095 -176.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -74.12 133.12 42.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.6 mt -85.16 64.6 8.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.963 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.49 -24.85 22.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -169.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -90.63 111.32 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -172.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.33 -28.95 68.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -173.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -94.19 -8.46 39.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -172.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -82.28 135.06 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-20 -79.13 156.69 28.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -170.171 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.41 -41.48 93.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -60.96 -41.74 96.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.77 -30.7 71.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.74 -19.92 47.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.937 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.08 29.65 14.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.488 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.1 mm -81.86 123.3 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.391 . . . . 0.0 111.124 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.1 p -110.23 -177.38 3.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -174.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.88 -25.04 67.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -112.9 5.61 17.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -170.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 m -65.45 139.44 58.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.818 -176.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -112.31 129.82 56.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.51 HD11 HG22 ' A' ' 10' ' ' VAL . 46.2 pt -117.15 143.75 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.43 125.27 62.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -121.3 135.86 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -170.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.985 -178.237 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.767 0.318 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.73 64.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 175.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.6 t -125.26 135.37 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.071 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -96.1 -17.29 21.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -172.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -98.9 150.02 22.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 pt -136.36 151.75 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -105.36 143.49 33.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.92 134.87 65.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.3 m -91.87 116.9 29.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.9 t -104.8 116.13 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -104.93 122.93 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -108.67 157.41 36.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.871 166.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -60.81 -25.62 81.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -103.89 -24.31 13.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -175.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -159.96 163.15 34.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -172.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -130.91 152.52 50.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -160.07 150.73 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.1 p -111.59 147.9 34.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -130.0 158.87 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -112.05 123.38 50.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.11 171.83 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.9 t70 -98.99 144.04 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 176.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -67.71 -26.81 66.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.1 p -88.29 -9.01 54.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -175.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 67.7 mm-40 -80.03 155.68 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 175.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 78.5 p -83.39 164.98 19.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.184 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.38 -23.53 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.1 p -65.0 -29.86 70.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -71.44 -36.25 71.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.8 tp -62.39 -40.81 97.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.953 170.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.91 -34.56 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -58.35 -44.64 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -64.44 -40.79 96.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.3 -40.09 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -66.14 -36.72 83.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.99 -40.36 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.07 -38.87 56.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -96.59 -178.21 4.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -174.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -117.03 22.99 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.2 m -116.3 131.95 23.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 111.141 -176.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.12 145.2 93.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.34 -35.45 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -175.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.6 -20.82 65.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.0 -38.19 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.842 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 73.3 mtm -60.06 136.52 58.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -109.99 143.88 39.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 175.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 tt -127.19 122.87 35.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.987 -172.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -119.27 131.42 55.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' O ' ' C ' ' A' ' 50' ' ' SER . 43.1 t80 -103.49 135.53 44.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.949 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.491 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.1 t -28.54 103.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 175.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.53 -73.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 174.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.4 mt -104.41 133.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 111.129 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -90.88 112.91 24.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.8 tp -81.79 111.47 18.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.97 1.9 40.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -96.4 108.6 21.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.25 -29.7 70.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -92.59 -2.27 56.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -169.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -70.21 129.17 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 176.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 70.8 m-80 -76.06 147.41 38.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.57 -46.95 80.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -63.19 -41.89 99.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.9 -25.25 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -89.8 -18.91 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.03 27.32 7.44 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.46 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mm -84.73 122.01 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 0.0 111.058 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.6 p -113.77 -168.76 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -78.62 -4.03 46.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -114.15 10.47 17.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -55.99 128.5 35.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 -174.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -109.16 111.23 22.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.41 127.02 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -99.17 125.26 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.0 t -117.35 131.69 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.036 -171.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -111.54 137.89 48.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.3 mt -104.5 132.77 50.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -95.18 153.63 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.8 t -63.02 121.4 13.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.7 pp -135.01 -178.78 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.085 -176.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -117.07 104.05 10.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -111.52 39.09 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.95 149.86 47.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 54.92 38.94 31.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 177.647 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.769 0.319 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.06 108.73 19.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.4 t -126.3 106.26 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 64.71 24.11 12.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.51 143.89 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.4 pt -136.6 151.9 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -101.89 146.32 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.0 t -125.87 131.85 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 100.0 m -89.28 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.519 HG22 HD11 ' A' ' 72' ' ' ILE . 44.8 t -97.74 114.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -177.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.9 mttt -104.95 118.77 37.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -175.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.29 163.25 17.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.591 0.71 . . . . 0.0 110.839 165.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -53.64 -35.57 78.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.632 2.222 . . . . 0.0 112.271 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p -122.09 -5.66 8.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -168.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -157.9 162.0 38.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -172.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 83.8 mt-30 -142.04 150.6 41.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -139.34 156.5 46.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.4 m -106.38 136.5 46.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.227 172.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.9 m -128.52 158.04 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.08 177.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -118.44 127.42 53.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.49 171.01 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 -177.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -94.49 144.54 25.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -65.93 -34.47 78.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -88.97 -6.74 57.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.038 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -78.65 156.93 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.941 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 75.6 p -86.01 171.1 11.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.12 -30.79 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -58.83 -29.56 66.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -72.0 -39.76 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 173.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.07 -47.42 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -69.24 -35.37 76.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.915 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.35 -44.28 88.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.812 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -69.89 -37.6 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.58 -37.58 78.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 171.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -66.38 -38.47 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.76 -39.83 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.79 -40.28 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -97.58 -178.13 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -175.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -115.84 23.02 12.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.6 m -109.58 128.76 24.84 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.619 0.723 . . . . 0.0 111.074 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.41 143.4 54.74 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.763 2.309 . . . . 0.0 112.287 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.5 mt -59.06 -37.7 69.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.45 -20.93 66.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -100.96 -34.84 9.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -69.91 133.39 47.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -106.51 134.41 49.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.0 tp -119.69 114.99 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -173.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -116.55 141.5 48.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.501 ' O ' ' C ' ' A' ' 50' ' ' SER . 18.4 t80 -116.9 134.08 55.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.3 t -24.79 102.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 172.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.35 -79.6 0.59 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.2 mt -98.24 131.43 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.189 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -76.55 138.23 40.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.9 mt -89.47 65.38 7.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -170.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.63 -20.31 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -169.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -92.19 114.3 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.81 -35.87 82.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.813 -175.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -95.69 -8.63 34.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -166.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -79.34 134.64 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.858 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 71.8 m-80 -77.92 154.18 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -170.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.09 -41.93 84.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.02 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -58.88 -42.6 89.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.99 -29.72 69.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -176.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -78.69 -19.92 51.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.52 28.33 13.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -175.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -80.1 111.92 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 111.145 -178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.1 p -102.64 -177.99 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -172.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.11 -17.09 64.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -112.19 18.62 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.9 t -52.09 130.16 29.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -111.72 114.47 27.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 172.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.519 HD11 HG22 ' A' ' 10' ' ' VAL . 43.2 pt -120.14 143.65 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 -177.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.6 t -109.04 129.2 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.3 t -120.33 130.58 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -172.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -112.44 135.77 52.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.8 mt -104.7 132.89 50.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 -173.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.91 70.9 1.35 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.7 p -159.33 161.54 35.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 171.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.5 mt -114.85 -47.61 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.97 159.05 33.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -115.77 161.46 18.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.804 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.09 148.59 22.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.31 -63.81 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 177.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 176.337 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.801 0.334 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.68 111.83 20.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.4 t -129.31 107.96 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.054 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 64.96 23.71 12.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -176.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -105.02 139.13 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 pt -137.12 154.11 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -112.03 130.69 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 170.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.9 t -109.64 134.5 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.096 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.1 m -86.09 118.71 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.517 HG22 HD11 ' A' ' 72' ' ' ILE . 48.1 t -97.45 114.92 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -178.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -108.46 115.58 30.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -104.61 163.4 17.31 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 165.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.84 -33.51 81.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.749 2.3 . . . . 0.0 112.303 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -125.62 -6.1 6.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -172.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -140.89 147.44 38.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -172.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -140.63 146.16 37.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 176.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -168.01 166.04 13.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.9 p -111.11 149.18 31.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.253 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.1 156.08 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.094 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -109.21 123.54 49.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -176.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.37 168.09 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.165 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.416 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 8.8 t70 -98.84 148.79 23.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -64.49 -31.15 72.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -86.59 -5.26 59.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.065 -174.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HG3' ' HB3' ' A' ' 22' ' ' ASP . 95.5 mt-10 -84.75 157.93 20.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.979 0.419 . . . . 0.0 110.846 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 29.5 p -85.66 176.06 8.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 173.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.9 m -65.33 -15.15 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 176.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -55.23 -45.31 75.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.2 p -71.38 -33.98 70.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD21 HD13 ' A' ' 72' ' ' ILE . 58.7 tp -64.22 -41.57 96.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -71.53 -34.09 69.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -57.31 -46.49 83.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -63.39 -42.13 98.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.92 -40.03 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -67.05 -36.03 81.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.96 -43.69 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.051 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.9 t -73.43 -39.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -94.89 -178.97 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.975 -175.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -116.67 21.23 13.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.8 m -112.93 129.5 24.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.562 0.696 . . . . 0.0 111.058 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.23 144.29 48.86 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.38 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.77 -36.62 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.95 -21.06 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.09 -37.7 8.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.7 tmm? -65.59 133.59 51.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -106.03 136.95 44.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.3 tp -125.72 112.8 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -170.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -114.65 138.9 50.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.502 ' O ' ' C ' ' A' ' 50' ' ' SER . 36.8 t80 -115.64 136.2 53.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 174.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.7 t -25.94 102.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 173.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.89 -76.68 0.53 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.4 mt -96.04 129.27 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.32 134.59 42.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 171.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.4 mt -90.09 67.58 7.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -169.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.7 -19.38 19.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -166.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -94.47 109.62 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.65 -32.33 73.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.761 -169.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -93.45 -7.17 45.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -170.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -76.61 133.34 39.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-80 -77.28 153.53 33.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -170.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.62 -38.77 75.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -61.6 -39.6 91.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 176.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -67.98 -29.97 69.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -75.36 -19.93 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.91 29.77 16.94 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.445 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.4 mm -79.44 116.75 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 0.0 111.131 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -104.59 -179.44 3.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.155 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.91 -30.72 66.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -109.71 16.35 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -59.5 132.43 53.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -110.94 128.27 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.517 HD11 HG22 ' A' ' 10' ' ' VAL . 38.0 pt -118.65 143.48 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 -177.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -108.41 126.16 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.1 t -122.11 135.08 63.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -168.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -117.27 140.38 49.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.933 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.5 mt -101.57 134.74 44.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -124.25 69.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.0 p -163.37 163.34 25.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 174.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 94.4 mt -115.59 -49.73 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.04 154.69 41.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -111.41 155.75 22.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.91 151.16 30.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.93 -62.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.4 t0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 173.578 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.036 0 CA-C-O 120.809 0.338 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.12 174.68 11.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.31 -19.26 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -90.07 77.35 6.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.796 -171.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -95.48 141.19 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.82 -171.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 pt -136.55 150.82 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -95.88 134.75 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.767 175.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.2 t -115.21 129.3 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 172.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.7 m -90.35 115.75 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.141 171.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.5 t -100.17 117.09 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 -176.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -104.11 121.4 43.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -173.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.0 158.8 31.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 163.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -58.17 -31.95 94.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -102.86 -26.97 12.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -144.55 160.57 40.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -168.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -134.2 148.1 50.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -140.0 154.52 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.3 m -103.17 133.63 47.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.186 168.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.9 t -127.5 142.72 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.158 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -108.14 118.61 37.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 m -137.24 177.19 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 -172.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -115.39 137.21 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.885 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -66.96 -20.13 65.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -172.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.3 p -89.98 -11.57 41.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -85.79 158.63 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 173.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 60.6 p -84.95 172.69 11.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.22 -22.14 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.4 p -64.77 -31.28 72.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -66.6 -42.07 87.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.762 172.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.63 -39.64 92.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 174.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.71 -42.2 97.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.31 -45.01 88.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.34 -40.44 85.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.998 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.48 -38.46 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -68.19 -36.27 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.6 mt -67.86 -45.0 84.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.7 t -74.22 -50.61 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 -174.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -97.55 145.53 26.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -84.85 74.19 10.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 8.8 t -155.47 136.61 9.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 111.154 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 51.0 Cg_exo -58.24 143.48 97.06 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.33 -36.26 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.78 -24.98 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -91.37 -27.11 18.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -175.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -89.95 133.55 34.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -110.06 128.46 55.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.5 tp -109.22 114.79 28.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -135.77 159.66 40.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -139.91 134.78 32.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -166.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -38.47 130.03 1.35 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.16 -98.18 2.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.8 mt -93.52 126.52 45.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 111.134 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.32 138.8 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.2 mt -85.69 60.05 6.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -166.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.84 -16.9 34.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.005 -170.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -97.26 105.21 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.83 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -65.12 -26.43 68.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.24 -7.37 48.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -171.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -83.42 136.88 34.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.847 176.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 76.0 m-20 -81.13 155.58 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.73 -41.43 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -62.93 -38.51 91.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.77 -23.96 63.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -78.55 -17.27 56.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.77 22.23 56.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.6 mt -83.68 130.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.156 -174.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.2 p -108.0 178.67 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.174 -171.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -77.4 -3.37 39.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.818 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -112.55 -7.45 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.3 m -66.35 146.44 54.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -176.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -117.59 129.8 56.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 174.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.1 mt -117.38 132.75 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.6 t -110.03 139.2 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 -165.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -110.68 131.9 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -104.23 131.89 51.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.8 mt -101.81 130.17 48.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 -169.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -53.2 128.73 28.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.85 166.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 93.6 p -83.94 164.98 19.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -167.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 79' ' ' ILE . 21.4 mt 57.55 44.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -100.38 -170.03 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -144.0 129.95 19.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -158.39 162.0 37.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -97.89 159.61 14.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.8 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.8 -178.114 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.92 178.53 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.73 -30.07 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.16 79.16 9.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -99.29 153.88 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 pt -140.07 150.19 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 171.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -97.48 126.14 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.797 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.8 t -114.15 124.93 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.1 m -89.96 116.1 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.3 t -96.92 117.68 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -107.88 121.85 45.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -113.77 156.49 43.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.708 . . . . 0.0 110.974 163.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -61.26 -24.16 78.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.411 173.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 99.2 p -91.79 -31.2 15.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -165.55 157.43 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.964 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -129.3 149.84 50.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 176.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -159.27 163.02 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -178.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -120.2 141.39 49.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.0 m -126.97 160.13 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.071 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -107.63 119.34 39.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.93 167.97 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -104.37 128.75 52.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -69.19 -22.33 63.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -171.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.6 p -91.05 -8.48 48.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -85.74 163.61 18.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 170.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 80.7 p -79.69 165.96 22.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 54' ' ' LEU . 8.9 p -64.89 -19.89 26.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -62.71 -26.26 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -176.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 m -66.2 -40.94 90.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.33 -39.93 94.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 174.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.16 -40.01 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -58.35 -45.54 87.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 173.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.41 -40.76 95.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.82 -40.8 90.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -66.07 -34.59 78.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.21 -47.1 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.3 t -81.28 -40.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' OE1' ' HA ' ' A' ' 38' ' ' GLU . 5.8 tp10 -100.01 145.28 28.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -176.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -88.24 71.01 9.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.8 m -155.81 125.49 3.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.182 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -52.09 141.54 47.47 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.426 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.7 mt -60.86 -37.75 77.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.966 0.412 . . . . 0.0 111.127 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -68.43 -19.58 64.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -102.15 -33.9 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -63.82 130.08 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -101.27 126.13 47.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.411 ' HG ' ' HB2' ' A' ' 54' ' ' LEU . 67.3 tp -120.31 116.54 25.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -174.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -134.27 154.19 51.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -143.47 136.83 28.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -173.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.2 t -38.3 128.63 1.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 174.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.23 -99.26 2.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.505 -172.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.3 mt -94.03 127.31 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 0.0 111.153 -177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.56 135.6 50.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.416 ' HB3' HG21 ' A' ' 27' ' ' VAL . 46.7 mt -84.03 63.61 7.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -170.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.22 -8.05 15.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 -173.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -93.68 105.59 17.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -65.47 -26.74 68.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -91.93 -11.48 36.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -171.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -79.96 134.75 36.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.548 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 76.4 m-20 -79.91 156.28 27.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 -176.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 99.3 mt -58.18 -38.97 77.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -64.37 -39.32 93.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.57 -25.98 65.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -75.28 -21.61 58.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 174.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.52 24.89 44.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -87.19 130.97 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.346 . . . . 0.0 111.174 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.6 p -107.87 177.0 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 -171.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -76.33 -5.43 47.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.801 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -110.41 -8.2 14.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 m -63.39 130.13 43.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -108.44 127.0 53.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 174.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.76 124.86 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -173.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.3 t -94.9 128.9 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.1 t -116.34 135.51 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -108.16 135.82 48.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.837 -174.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.8 mt -103.05 131.91 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -174.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -68.43 134.99 51.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 169.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.0 p -79.73 169.15 18.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -170.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.719 ' O ' HG22 ' A' ' 79' ' ' ILE . 61.9 mt 44.02 45.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -85.05 -175.72 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -148.1 130.03 15.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.86 159.9 37.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -96.63 164.71 12.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.3 t0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.162 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.735 0.302 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.81 108.8 18.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.053 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 73.4 t -127.0 107.88 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 65.43 19.8 11.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.832 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -103.7 139.94 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.4 HD12 HG22 ' A' ' 66' ' ' ILE . 45.2 pt -136.96 155.3 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -108.13 144.78 35.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 170.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.6 t -123.13 134.32 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -88.44 119.7 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.514 HG22 HD11 ' A' ' 72' ' ' ILE . 46.3 t -100.58 115.85 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 -175.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 96.0 mttt -104.95 117.55 34.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -176.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -109.8 158.25 35.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 162.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.41 -26.33 76.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.227 . . . . 0.0 112.288 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.0 p -105.59 -20.02 13.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -174.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -158.12 160.21 37.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -172.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.407 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 82.6 mt-30 -139.81 150.0 44.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 172.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -164.31 166.56 20.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.5 p -111.12 150.02 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.158 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.6 m -128.54 155.75 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -109.38 121.35 45.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.25 170.41 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -100.28 141.07 33.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 176.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -66.25 -25.09 66.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -175.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.0 p -92.04 -7.62 48.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -79.29 157.6 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 67.3 p -83.74 167.48 17.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -174.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.19 -33.61 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 p -62.12 -29.09 70.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.6 m -71.29 -39.32 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.1 -40.43 97.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 173.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.09 -37.92 89.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.2 -43.61 92.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -62.31 -40.98 98.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.0 -40.23 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 172.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -66.58 -34.42 77.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.8 -42.65 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.069 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.3 t -76.05 -39.98 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -94.65 179.95 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -173.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -115.72 21.79 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -114.72 129.78 24.69 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -53.69 144.98 51.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 0.0 112.357 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.56 -36.85 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.53 -21.75 65.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.948 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -99.81 -37.68 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -64.99 134.31 53.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -106.28 138.6 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.6 tp -127.92 119.04 24.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -119.35 142.45 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' C ' ' A' ' 50' ' ' SER . 18.4 t80 -115.06 134.77 54.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.9 t -29.54 103.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.774 176.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.79 -84.57 0.73 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.3 mt -93.82 129.06 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 111.141 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.39 135.67 45.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.33 61.61 6.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.25 -36.43 77.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -171.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -85.45 113.26 21.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -171.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -64.75 -34.5 78.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -97.05 -6.93 34.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -166.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -74.37 141.54 45.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 98.4 m-20 -74.83 149.45 39.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -174.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 97.0 mt -60.3 -42.81 96.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -60.45 -37.61 81.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.779 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -67.33 -29.92 69.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -177.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -80.67 -19.96 44.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.53 27.17 8.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.462 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.4 ' HB ' ' HB3' ' A' ' 61' ' ' LEU . 39.6 mm -79.9 116.54 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.975 0.417 . . . . 0.0 111.117 178.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.7 p -107.48 -177.36 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 -173.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.73 -15.9 63.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -110.47 16.84 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.1 t -55.38 133.87 49.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -121.7 118.09 28.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.514 HD11 HG22 ' A' ' 10' ' ' VAL . 47.3 pt -119.08 142.92 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -176.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.9 t -107.7 126.1 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.73 135.14 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 -168.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -117.39 141.55 48.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.1 mt -100.78 136.19 41.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -126.56 65.64 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.0 p -159.68 160.44 34.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 94.8 mt -108.5 -55.09 5.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -71.21 149.99 45.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.59 157.74 16.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.12 150.26 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.18 -62.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.5 t0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 173.684 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.726 0.298 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.34 110.84 22.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.072 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.9 t -125.47 108.62 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 65.04 25.09 12.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.83 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -105.01 143.44 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 174.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.409 HD12 HG22 ' A' ' 66' ' ' ILE . 42.6 pt -137.14 153.31 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -178.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -105.0 146.11 29.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 173.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.5 t -123.61 131.8 72.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.7 m -87.77 120.38 29.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 72' ' ' ILE . 44.6 t -99.81 113.87 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 -177.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -105.91 115.43 30.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -174.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -105.22 157.96 33.19 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.927 164.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -62.1 -24.93 76.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -107.46 -19.99 13.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -174.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -157.25 160.1 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.87 -172.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -138.93 148.9 44.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -162.62 165.13 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -111.2 150.28 29.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.199 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.82 158.46 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -111.95 124.65 52.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.01 170.73 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.9 t70 -94.78 146.61 24.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -65.13 -33.18 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.3 p -89.44 -7.68 54.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 -172.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 64.4 mm-40 -78.7 156.63 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.917 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 74.4 p -85.03 170.0 13.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.36 -19.84 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -62.32 -29.82 70.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.3 m -73.94 -37.56 64.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 173.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.6 tp -65.07 -46.33 81.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -69.09 -31.59 70.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.4 -43.62 83.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.874 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -62.83 -41.36 99.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.23 -40.96 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 175.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -66.51 -36.63 83.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.0 -43.2 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.3 t -72.83 -40.06 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -94.44 -179.9 5.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -175.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -115.8 20.96 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.4 m -110.7 129.33 24.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.532 0.682 . . . . 0.0 111.114 -176.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -53.28 142.87 55.39 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.774 2.316 . . . . 0.0 112.341 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.3 mt -58.78 -37.32 65.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.48 -21.73 66.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -99.91 -35.97 9.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -65.27 132.46 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -103.92 134.93 46.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.5 tp -124.48 117.91 25.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -170.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -123.23 141.63 51.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.462 ' O ' ' C ' ' A' ' 50' ' ' SER . 17.5 t80 -115.54 135.31 54.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.6 t -31.06 103.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.78 -81.63 0.58 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.519 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.8 mt -95.8 128.5 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.074 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.46 136.08 42.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.868 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.8 mt -85.02 61.91 7.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.02 -36.86 24.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 -167.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -91.8 125.82 36.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -169.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -70.07 -36.75 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -78.25 -12.45 60.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -170.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -80.02 140.02 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-80 -82.49 156.91 23.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -176.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.29 -41.62 84.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.024 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -61.64 -38.81 89.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.11 -29.1 69.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -80.74 -18.58 47.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.867 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.76 27.37 17.11 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -173.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.409 HG22 HD12 ' A' ' 6' ' ' ILE . 35.0 mm -79.24 116.87 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.922 0.392 . . . . 0.0 111.167 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.0 p -110.58 -179.14 3.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 -175.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.05 -23.73 62.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -108.41 16.8 22.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -175.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.4 t -55.95 135.45 52.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -120.51 116.95 26.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.883 174.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.49 HD11 HG22 ' A' ' 10' ' ' VAL . 46.9 pt -116.54 143.4 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.76 126.32 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.97 134.87 65.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -117.16 141.75 47.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.875 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.6 mt -102.19 134.93 44.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -124.77 70.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.4 p -163.19 162.14 25.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.913 175.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.5 mt -115.33 -48.56 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 175.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.62 152.14 45.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -108.93 156.11 20.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.11 151.6 30.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.094 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.0 -63.3 1.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 175.641 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.755 0.312 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.23 108.17 18.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.1 t -126.03 108.95 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 64.97 26.1 12.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -105.56 146.85 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 173.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 pt -137.31 154.42 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -112.09 140.35 46.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.0 t -116.85 134.73 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.5 m -86.1 118.08 25.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.521 HG22 HD11 ' A' ' 72' ' ' ILE . 52.3 t -96.66 114.99 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 97.8 mttt -105.91 114.46 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 95.0 m-85 -104.93 159.41 29.44 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.656 0.741 . . . . 0.0 110.894 161.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 27.4 Cg_endo -61.26 -24.96 79.86 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.725 2.284 . . . . 0.0 112.275 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.7 p -117.76 -13.06 10.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -173.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -151.0 151.64 32.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 82.2 mt-30 -138.92 149.51 44.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 171.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -164.94 164.97 20.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.7 m -110.63 141.1 44.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.22 -175.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.6 m -124.4 153.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -108.71 125.06 51.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -176.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.1 m -136.59 169.03 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.458 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 9.7 t70 -96.51 151.73 19.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 178.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -63.45 -35.22 79.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -86.58 -5.13 59.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 -172.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 55.2 mm-40 -82.59 157.99 23.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.917 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 66.0 p -87.86 172.26 9.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 m -66.22 -24.9 34.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -66.55 -29.43 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.8 m -71.43 -38.97 71.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 172.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.4 -40.35 96.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 171.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -66.82 -36.97 83.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.4 -43.56 92.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 175.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -61.89 -41.27 97.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.76 -40.26 87.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -65.89 -35.29 80.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.833 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.31 -42.48 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.09 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.7 t -74.98 -40.0 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -92.95 179.94 5.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -115.68 20.57 14.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.0 m -113.15 129.65 24.34 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.541 0.686 . . . . 0.0 111.109 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.53 144.9 49.67 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.633 2.222 . . . . 0.0 112.404 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 95.6 mt -59.77 -37.32 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.91 -20.81 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -99.98 -37.97 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.08 134.86 54.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -106.51 136.72 45.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.5 tp -124.74 115.3 20.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -171.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -114.17 137.63 51.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' SER . 34.6 t80 -115.0 136.27 53.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 175.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.1 t -23.7 102.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.807 173.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.11 -75.06 0.6 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.4 mt -98.95 131.03 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.123 -173.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -76.29 135.73 39.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 172.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 66.4 mt -93.7 70.24 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -170.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.61 -15.27 19.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -169.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -101.71 116.11 32.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -75.95 -29.36 58.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -174.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -78.13 -11.96 59.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -175.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -85.16 137.36 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 20.1 p30 -95.81 166.33 11.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -172.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.54 -37.16 75.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -174.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.1 -37.05 86.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.18 -28.0 68.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -89.35 -7.26 55.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.08 32.45 35.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -176.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.1 mm -76.77 111.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.962 0.411 . . . . 0.0 111.115 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.9 p -105.09 -178.47 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.206 -172.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.49 -26.04 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -110.37 22.94 14.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -173.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.7 t -53.99 129.8 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -176.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -113.4 116.3 29.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 174.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.521 HD11 HG22 ' A' ' 10' ' ' VAL . 40.0 pt -119.19 142.65 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.4 t -109.0 126.87 66.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.0 t -121.08 135.13 62.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -168.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -118.19 141.2 48.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.1 mt -101.88 135.82 42.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -125.54 67.87 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.6 p -162.45 160.14 25.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 174.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.0 mt -109.6 -53.28 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.79 158.34 30.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -116.0 167.05 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.36 154.7 30.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.051 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.86 -61.74 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 175.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 173.774 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.765 0.317 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.19 110.36 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.08 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 75.5 t -125.8 108.94 20.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 65.11 25.57 12.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -105.35 144.08 32.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 pt -136.55 154.4 32.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -103.93 149.5 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 172.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.18 130.01 73.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -87.53 120.06 28.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.519 HG22 HD11 ' A' ' 72' ' ' ILE . 42.4 t -99.8 114.57 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.164 -177.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.79 115.58 30.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -175.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -104.36 159.48 29.17 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 162.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -61.33 -25.3 80.09 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.666 2.244 . . . . 0.0 112.298 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.1 p -120.7 -11.33 9.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -144.53 149.69 36.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -172.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -140.01 146.31 38.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -165.0 164.82 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 173.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.2 p -113.02 149.98 32.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.164 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.73 158.29 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -112.29 124.15 51.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.2 m -137.04 170.74 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -92.75 146.56 23.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -65.36 -32.63 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -89.8 -5.21 57.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.157 -173.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -79.95 158.95 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.0 p -89.53 168.61 12.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.235 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -65.12 -19.99 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.4 p -61.96 -30.16 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.1 m -75.06 -37.4 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 172.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.88 -45.37 86.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -68.74 -31.57 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -58.53 -43.78 89.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 173.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -62.04 -41.35 98.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.59 -41.85 91.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -67.87 -35.66 78.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.08 -42.93 95.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.2 t -71.98 -40.55 67.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -95.04 -175.6 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -175.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.453 ' HB2' ' HB3' ' A' ' 82' ' ' ALA . 49.8 p30 -124.2 22.59 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -177.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.7 m -113.24 130.45 23.62 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.544 0.687 . . . . 0.0 111.143 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -54.09 143.76 61.09 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.65 -35.75 61.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.11 -21.82 66.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.12 -26.37 14.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.974 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -76.21 133.24 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -106.33 133.4 51.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.8 tp -119.82 110.62 16.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -170.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -116.07 138.88 50.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.475 ' O ' ' C ' ' A' ' 50' ' ' SER . 24.0 t80 -115.02 137.15 52.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 175.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.9 t -28.79 103.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.814 175.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.24 -79.57 0.52 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.57 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.2 mt -96.79 131.02 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.1 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -74.34 134.41 42.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 173.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.0 mt -85.78 64.15 8.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -172.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.98 -29.68 19.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 -167.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -93.93 118.85 32.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -170.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -68.76 -35.62 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -174.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -78.24 -12.65 60.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -80.11 139.71 36.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -83.82 157.29 22.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.82 -41.14 86.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -61.36 -39.08 89.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.33 -27.73 67.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -79.98 -18.65 49.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.33 29.12 15.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.455 -173.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.9 mm -79.78 114.39 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 111.063 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.0 p -103.92 178.65 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.04 -27.04 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -110.09 19.3 19.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -175.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 88.6 p -56.21 145.46 26.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -126.26 118.35 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.519 HD11 HG22 ' A' ' 10' ' ' VAL . 45.3 pt -115.94 143.29 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.2 t -108.69 127.11 65.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.21 130.82 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -170.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -112.97 141.44 46.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.959 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.4 mt -105.45 134.98 47.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -120.93 71.48 0.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 170.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.0 p -152.76 148.23 26.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.902 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.0 mt -105.84 -56.06 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.15 157.19 26.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -113.48 174.97 5.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . . . -155.64 153.23 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.037 178.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.92 -64.08 0.99 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 177.251 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.769 0.318 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.81 117.12 24.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.053 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 72.3 t -132.07 109.7 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 64.98 23.56 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -175.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -103.41 134.9 46.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.3 pt -137.59 152.82 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 175.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -105.43 144.64 31.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 171.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.88 130.64 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.097 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.6 m -86.11 119.71 26.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.512 HG22 HD11 ' A' ' 72' ' ' ILE . 39.8 t -97.61 114.22 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -177.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -105.44 116.27 31.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -175.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.405 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 89.5 m-85 -106.28 160.06 27.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.663 0.744 . . . . 0.0 110.939 163.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 31.2 Cg_endo -62.49 -25.55 75.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.257 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p -115.74 -15.16 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.982 0.42 . . . . 0.0 110.821 -172.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -152.89 160.86 43.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.888 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -141.53 149.47 40.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 172.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -162.8 165.07 25.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -111.25 150.09 30.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -175.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.97 158.62 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 175.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -114.19 122.87 48.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.09 168.74 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -90.72 141.24 29.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 178.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -66.8 -33.83 76.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.7 p -88.8 -5.91 57.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 -174.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -83.62 156.41 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 81.1 p -82.21 169.84 16.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.196 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.1 m -66.68 -21.15 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.085 -176.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -61.55 -30.72 70.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -71.29 -41.02 70.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.38 -47.38 86.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -69.92 -34.75 73.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.64 -46.39 90.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.59 -38.59 84.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.77 -38.3 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 171.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -66.32 -37.5 85.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.64 -39.94 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.9 t -68.67 -40.79 82.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -94.38 -177.94 4.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -121.6 26.51 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -109.81 127.44 27.12 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 111.111 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -52.92 143.42 49.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.785 2.324 . . . . 0.0 112.358 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.72 -37.4 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.123 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.8 -21.04 66.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.03 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -99.94 -34.48 10.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 63.0 ttp -74.74 134.22 41.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -106.48 134.69 49.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.5 tp -115.12 117.93 31.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -121.47 140.63 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.481 ' O ' ' C ' ' A' ' 50' ' ' SER . 19.0 t80 -115.17 135.65 53.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.9 t -28.16 103.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.818 174.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.12 -76.92 0.52 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.569 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.5 mt -99.62 130.69 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.037 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -75.36 135.86 40.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.9 mt -85.31 66.62 9.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.944 -174.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.77 -23.46 18.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.144 -170.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -88.96 112.72 23.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.12 -30.23 70.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.39 -10.5 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -170.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -81.08 133.22 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.83 175.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.2 m-80 -79.55 156.97 27.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -171.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.23 -42.84 96.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.958 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -55.5 -45.24 77.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 172.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.08 -30.06 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -77.69 -19.38 55.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.02 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.8 29.05 13.97 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.42 -175.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.0 mm -83.19 116.93 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.966 0.412 . . . . 0.0 111.118 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.5 p -108.88 -177.27 3.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.42 -17.76 64.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -109.06 16.29 22.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.942 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.0 t -55.15 133.28 48.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -116.63 114.92 24.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 174.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.512 HD11 HG22 ' A' ' 10' ' ' VAL . 45.5 pt -119.36 143.42 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -177.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.0 t -109.56 130.11 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -121.56 134.07 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -172.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -113.43 136.64 52.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -175.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.1 mt -103.26 134.27 46.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -175.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -124.23 75.32 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 174.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.1 p -160.75 155.98 24.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 172.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.4 mt -108.73 -55.57 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -177.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.72 154.86 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -119.15 178.35 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -174.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.32 144.78 40.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.076 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -47.42 -49.45 25.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.793 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 178.801 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.772 0.32 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.65 107.35 18.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.064 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.4 t -124.83 106.7 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 64.78 26.66 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.812 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -105.61 144.89 31.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.3 pt -135.79 150.01 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 176.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -101.13 147.59 26.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.6 t -123.51 128.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -88.51 118.41 28.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.493 HG22 HD11 ' A' ' 72' ' ' ILE . 36.4 t -101.46 114.42 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.224 -174.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -108.73 112.63 25.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -174.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 50.9 m-85 -94.43 165.95 16.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 162.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.574 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 22.5 Cg_endo -62.23 -28.13 78.96 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.651 2.234 . . . . 0.0 112.274 -177.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.3 p -133.25 12.77 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -154.26 149.33 26.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -139.73 145.67 38.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 173.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -161.39 162.42 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 172.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.6 p -112.53 149.87 32.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.224 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -131.12 158.29 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 176.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -113.14 124.21 52.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.38 168.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -175.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -90.0 144.33 26.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -65.52 -32.92 74.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -90.05 -5.41 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -173.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -80.63 158.56 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 80.7 p -88.73 170.04 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.202 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.78 -21.93 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.9 p -65.12 -29.93 70.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.1 m -72.39 -37.99 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 172.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.74 -47.92 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -68.98 -32.91 72.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -174.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.79 -45.39 94.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.93 -38.28 85.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.02 -39.12 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 172.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -65.83 -36.79 84.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.71 -40.08 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.9 -39.9 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -94.85 -176.6 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -124.14 27.96 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.1 m -114.32 129.81 24.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.599 0.714 . . . . 0.0 111.054 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.54 141.35 63.07 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.33 -34.23 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.14 -22.98 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -97.95 -36.35 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.7 ttm -69.79 132.94 46.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -104.4 136.47 43.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.3 tp -121.16 118.14 28.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -171.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -127.26 143.3 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.462 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.6 t80 -115.14 136.57 52.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 175.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.1 t -30.71 103.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.67 -82.95 0.62 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.47 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.6 mt -94.69 131.18 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 111.095 -175.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -74.43 135.03 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.8 mt -84.71 62.76 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.977 -177.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.48 -22.71 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -170.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -92.71 112.06 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -175.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -64.85 -31.5 72.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -94.53 -7.91 39.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -169.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -81.44 134.12 35.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 72.5 m-80 -79.52 156.58 27.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -169.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.85 -41.37 91.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.43 -41.69 94.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.63 -30.27 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -77.67 -19.93 54.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.913 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.02 30.06 13.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -175.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.3 mm -81.71 114.26 22.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.956 0.408 . . . . 0.0 111.115 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -100.59 179.17 4.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.198 -172.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.34 -27.56 67.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -110.33 21.0 17.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -175.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 99.3 p -57.36 144.89 34.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -175.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -124.65 120.47 31.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 10' ' ' VAL . 40.0 pt -116.64 143.43 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -101.17 125.22 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.02 130.08 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.038 -175.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -103.53 137.18 41.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -169.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.6 tp -94.35 126.81 39.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.99 -175.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -124.57 70.51 1.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.8 p -169.26 159.4 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.891 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.4 mt -117.13 -45.88 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.15 153.93 20.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -119.5 175.57 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -176.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.7 147.52 34.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 175.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -49.75 -51.78 36.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 176.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.74 108.88 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.8 t -125.52 103.63 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 64.95 24.53 12.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -104.02 144.19 31.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 172.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.6 pt -136.48 151.08 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -102.52 146.18 28.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 173.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -124.64 131.03 73.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -87.07 119.31 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.527 HG22 HD11 ' A' ' 72' ' ' ILE . 38.4 t -99.82 112.94 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -176.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.7 mttt -105.14 118.28 36.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -174.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -104.55 163.79 16.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.737 0.779 . . . . 0.0 110.843 166.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -53.34 -36.42 78.58 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p -122.79 -4.48 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -168.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -157.7 162.52 38.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -172.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 83.7 mt-30 -142.22 149.92 40.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.789 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -139.08 156.25 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.1 m -106.04 137.1 44.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.208 172.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.9 m -127.95 158.09 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.135 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -118.82 128.07 54.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.3 m -136.09 170.74 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.027 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.84 144.82 25.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -64.97 -32.72 74.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -87.61 -5.37 58.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -173.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -81.9 159.15 23.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.961 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 78.4 p -89.44 171.21 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.99 -22.5 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.3 p -64.63 -30.01 71.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -71.99 -38.97 69.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 172.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.5 -47.31 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -70.08 -34.22 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.45 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.792 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -67.54 -38.5 84.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.69 -38.05 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 172.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -66.24 -37.98 86.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.34 -39.57 85.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.54 -39.71 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -94.97 -173.37 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -126.79 24.99 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.1 m -111.78 129.39 24.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.61 0.719 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -52.6 142.5 49.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.777 2.318 . . . . 0.0 112.329 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.75 -37.3 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.6 -21.17 66.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -99.82 -37.06 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.3 ttp -68.32 134.29 50.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -105.5 137.54 43.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.6 tp -122.65 119.01 29.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -173.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -123.7 141.79 51.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.4 t80 -115.22 136.16 53.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 175.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.8 t -27.1 103.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.812 174.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.7 -77.61 0.55 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.8 mt -99.41 132.07 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.741 0.305 . . . . 0.0 111.153 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -74.25 136.51 42.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 178.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.6 mt -85.59 64.16 8.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.13 -26.95 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -170.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -92.75 116.74 29.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -172.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -68.62 -31.41 70.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -91.41 -9.28 45.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -172.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -86.67 124.34 32.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.887 171.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 18.4 p30 -89.31 165.78 14.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -165.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 94.4 mt -57.59 -38.12 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -172.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -65.13 -39.01 92.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.97 -31.69 72.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -79.49 -17.93 53.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.953 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.34 31.12 10.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.439 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.414 ' HB ' ' HB3' ' A' ' 61' ' ' LEU . 47.2 mm -81.41 113.41 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.99 0.424 . . . . 0.0 111.143 -178.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.5 p -107.51 -177.36 3.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.146 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.81 -18.52 64.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -110.1 19.21 19.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 t -54.36 133.38 45.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -175.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -117.71 115.44 25.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 174.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.527 HD11 HG22 ' A' ' 10' ' ' VAL . 46.1 pt -119.59 143.88 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.4 t -108.13 129.15 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.165 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.44 129.82 75.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -110.98 135.36 51.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.1 mt -102.0 131.04 48.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -174.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -121.14 73.74 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.2 p -157.19 153.03 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 171.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.6 mt -106.15 -57.11 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.84 157.0 19.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -114.71 161.1 18.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -173.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.42 148.74 27.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.65 -64.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 176.018 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.757 0.313 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.55 109.9 18.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.055 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.9 t -127.94 107.84 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 65.49 19.05 11.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.879 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -105.25 141.82 36.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 pt -138.58 154.56 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -111.84 124.25 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 170.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.7 t -107.59 137.61 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 -174.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -87.67 117.05 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.48 HG22 HD11 ' A' ' 72' ' ' ILE . 59.9 t -96.73 114.98 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -105.14 116.13 31.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -176.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -102.14 163.74 17.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 167.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -52.71 -35.75 69.83 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.365 -178.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.8 p -123.04 -9.96 8.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -171.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -142.04 160.29 40.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -170.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -137.77 145.36 42.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 172.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -140.68 155.14 46.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.8 m -105.93 137.01 44.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.5 151.6 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.123 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -111.15 122.08 46.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.98 169.79 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.144 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -103.09 142.37 34.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -65.68 -26.1 67.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.6 p -90.73 -8.74 48.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -79.19 156.66 28.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 64.4 p -82.25 166.97 19.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 -176.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.79 -34.71 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.6 p -60.38 -30.79 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -68.37 -40.13 81.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.692 ' O ' HD23 ' A' ' 30' ' ' LEU . 3.5 tt -64.25 -40.28 95.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 174.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.87 -36.69 85.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -57.39 -44.36 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.837 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -62.94 -41.61 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.77 -40.68 89.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 174.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -66.7 -34.24 77.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.34 -42.47 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.108 176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.3 t -72.12 -40.77 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -95.75 -176.88 3.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -121.37 27.99 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.2 m -114.84 129.81 24.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 111.119 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.21 142.81 44.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.23 -34.19 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.75 -21.79 66.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.34 -33.91 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -72.47 134.87 45.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -109.63 133.0 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.817 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.8 tp -117.22 119.81 36.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -174.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -117.76 142.43 47.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.009 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 19.7 t80 -115.33 135.2 54.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 176.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.1 t -28.3 103.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 175.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.67 -81.99 0.6 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.5 mt -97.07 130.66 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.312 . . . . 0.0 111.094 -176.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -74.17 134.98 42.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.28 65.41 9.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.942 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.76 -19.88 26.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -169.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -91.57 109.09 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -65.21 -37.79 88.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 -170.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.35 -5.68 42.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -168.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -74.66 140.1 44.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 97.9 m-20 -75.01 149.9 39.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -172.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.39 -41.27 96.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -61.11 -38.0 84.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -67.63 -30.21 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -79.96 -20.05 46.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.61 28.44 8.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.426 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.93 111.28 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.409 . . . . 0.0 111.149 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.7 p -101.46 -178.95 3.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.119 -171.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.28 -30.4 64.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -110.1 23.86 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -173.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t -53.74 132.13 40.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.842 -175.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -111.36 117.78 34.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.48 HD11 HG22 ' A' ' 10' ' ' VAL . 41.1 pt -121.32 142.52 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.036 -178.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.7 t -110.77 129.83 65.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -119.92 129.98 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -170.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -114.73 139.17 49.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.5 mt -107.94 127.04 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -175.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -100.15 66.44 1.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.0 p -153.55 153.06 31.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.3 mt -105.27 -54.94 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.81 153.93 38.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -130.82 -179.98 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.48 145.88 39.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 178.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -48.17 -49.03 34.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.027 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.773 0.321 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.68 109.61 19.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.2 t -126.49 106.14 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.097 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 64.68 24.58 12.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -177.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -104.9 144.41 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 172.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.3 pt -137.4 154.85 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -113.76 142.85 45.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 170.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.54 135.41 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.5 m -86.55 118.43 25.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.527 HG22 HD11 ' A' ' 72' ' ' ILE . 48.2 t -98.04 114.8 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -177.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.26 115.63 30.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -106.26 157.87 33.9 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.678 0.752 . . . . 0.0 110.86 162.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.67 -24.72 78.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.257 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.3 p -97.33 -29.3 13.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.796 -174.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -165.02 162.67 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -130.78 150.03 52.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -161.57 165.0 29.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.3 p -109.17 150.22 28.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.225 -177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -128.64 151.93 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.068 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -107.08 122.22 46.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.86 169.69 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -90.99 145.7 24.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.28 -34.89 79.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -88.27 -5.41 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -173.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -80.08 158.92 26.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 79.9 p -85.65 172.55 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -65.8 -21.48 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 -175.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -64.24 -32.44 74.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.752 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 m -71.17 -37.33 72.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 173.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD21 HD13 ' A' ' 72' ' ' ILE . 54.6 tp -62.86 -39.24 93.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 172.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -68.4 -36.07 78.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -58.19 -46.05 86.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.83 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.42 -41.27 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.61 -40.63 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 173.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -68.17 -35.35 77.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.7 mt -63.86 -43.09 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.3 t -73.6 -39.17 53.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -94.28 -177.34 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -122.93 22.59 9.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.9 m -112.92 129.92 24.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.734 . . . . 0.0 111.049 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -52.5 143.08 46.51 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.629 2.219 . . . . 0.0 112.346 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.1 -35.86 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.42 -20.97 66.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -100.3 -32.46 10.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -70.49 132.73 45.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -104.85 133.11 50.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.6 tp -118.05 111.07 18.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -173.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -114.6 139.36 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' O ' ' C ' ' A' ' 50' ' ' SER . 28.4 t80 -115.82 135.68 53.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 174.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.2 t -27.7 103.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 174.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.99 -83.47 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.568 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.4 mt -96.01 131.6 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 111.04 -173.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -74.86 136.25 41.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.4 mt -90.21 66.75 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.917 -171.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.71 -18.32 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -166.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -89.32 113.2 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -173.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.66 -31.48 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -174.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -94.8 -9.02 35.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.031 -170.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -83.51 132.3 34.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.854 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.6 m-80 -79.91 157.64 26.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -171.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.82 -40.86 89.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.991 175.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -61.22 -41.49 96.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.46 -29.99 70.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.24 -19.52 50.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.83 28.2 19.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -177.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mm -81.9 121.29 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.971 0.415 . . . . 0.0 111.122 -178.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.6 p -109.86 -170.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 -173.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -78.58 -11.55 59.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -116.21 -1.67 12.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.3 m -63.81 134.68 55.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.785 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -110.13 129.29 55.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.838 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.527 HD11 HG22 ' A' ' 10' ' ' VAL . 42.3 pt -117.37 143.49 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.083 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -108.25 125.89 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -120.07 134.37 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -169.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.81 140.98 48.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.0 mt -104.96 136.04 45.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -177.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -122.73 72.7 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.0 p -155.49 153.06 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.851 172.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.0 mt -104.99 -55.59 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.09 157.85 27.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -116.45 175.07 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.87 153.82 32.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.37 -61.98 2.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 175.671 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.771 0.32 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.7 102.7 13.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.3 t -125.0 109.35 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 65.05 24.97 12.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.9 149.3 28.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.841 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.7 pt -135.89 149.85 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -98.93 142.62 30.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -125.07 128.9 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.7 m -95.06 113.97 25.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -100.07 116.46 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -174.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -100.04 124.73 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -106.81 164.48 14.75 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.583 0.706 . . . . 0.0 110.912 172.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.08 -38.75 80.94 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 -175.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -120.17 -9.01 9.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -170.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -151.41 165.04 35.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -171.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -131.43 155.16 47.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -159.04 142.84 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p -107.93 147.98 30.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.187 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.59 162.39 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.088 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -117.2 126.37 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.52 168.47 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -91.75 144.16 25.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -65.35 -32.99 74.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -176.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.0 p -89.83 -6.74 55.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.94 158.13 26.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 67.4 p -90.1 169.96 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 m -65.82 -20.1 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.7 p -62.48 -29.47 70.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.5 m -74.13 -39.36 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.94 -46.86 85.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -69.59 -34.64 74.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.69 -45.12 95.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -67.48 -39.68 85.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.94 -38.02 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 172.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -67.08 -39.18 86.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.78 -40.07 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.2 t -70.73 -38.64 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.077 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -95.03 -175.18 3.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -119.54 18.34 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 174.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 96.7 m -100.97 127.56 31.78 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.536 0.684 . . . . 0.0 111.136 -177.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 74.7 Cg_exo -53.75 140.7 66.68 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.68 -39.78 82.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.15 -21.4 66.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -175.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -101.51 -33.91 9.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -70.13 134.27 47.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -106.74 138.78 42.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HG ' HD12 ' A' ' 54' ' ' LEU . 32.7 tp -120.46 118.11 29.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -169.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -122.68 136.3 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -170.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.583 ' O ' ' C ' ' A' ' 50' ' ' SER . 3.8 t80 -110.56 118.51 36.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 176.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.583 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.7 t -22.04 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.1 -63.77 0.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.3 pt -115.96 148.75 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.353 . . . . 0.0 111.073 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -83.27 141.26 31.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 176.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.442 HD12 ' HG ' ' A' ' 47' ' ' LEU . 85.5 mt -88.95 66.15 7.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.973 -175.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.23 -21.45 25.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -165.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -96.19 111.07 23.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -172.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -31.76 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 -173.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.71 -5.88 50.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -169.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -83.05 132.95 35.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.0 m-80 -80.1 155.8 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -169.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.28 -42.38 77.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -62.69 -39.63 94.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.83 -29.28 69.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -74.86 -19.99 59.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.17 25.77 32.96 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 -172.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -84.67 124.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 111.133 -177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.402 ' H ' ' HB2' ' A' ' 70' ' ' SER . 40.7 p -114.02 -168.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -170.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -77.55 -11.97 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -110.98 11.07 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.402 ' HB2' ' H ' ' A' ' 67' ' ' THR . 30.6 t -64.62 135.41 55.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -172.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -102.61 122.13 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 169.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.0 mm -114.57 124.8 71.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.5 t -99.98 129.09 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 -173.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -108.44 128.23 64.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -111.6 133.53 53.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.2 mt -101.83 126.37 48.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 -173.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -129.75 58.17 1.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 175.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.1 t -146.9 143.02 28.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.3 mt -98.17 -53.68 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.174 174.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -67.04 167.37 11.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 171.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -118.39 162.64 17.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.17 147.69 30.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -51.31 -52.39 45.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 177.884 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.797 0.332 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.26 110.94 22.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.049 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.8 t -126.18 104.94 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 64.84 24.36 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.58 143.03 35.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.4 pt -136.97 152.78 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.103 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -113.64 141.91 46.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 171.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.38 135.23 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.0 m -87.16 118.47 26.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.54 HG22 HD11 ' A' ' 72' ' ' ILE . 57.3 t -96.49 115.33 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -177.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.1 mttt -105.1 115.62 30.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -177.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -106.28 157.75 34.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.736 . . . . 0.0 110.828 160.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -60.92 -24.14 78.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.0 p -98.02 -29.72 13.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -165.22 161.96 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.451 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 86.3 mt-30 -130.59 152.21 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 176.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -161.07 164.52 30.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 176.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m -109.49 142.3 40.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.174 -174.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.7 m -124.33 151.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.102 177.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -108.2 123.56 48.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.4 169.37 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 8.8 t70 -95.84 148.44 22.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 178.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.42 -33.55 76.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.6 p -84.32 -5.04 59.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -174.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG3' ' HB3' ' A' ' 22' ' ' ASP . 94.6 mt-10 -84.11 158.26 21.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 30.0 p -85.79 177.42 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 174.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.05 -18.08 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.076 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -55.3 -44.3 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.7 p -71.0 -33.59 70.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.403 HD21 HD13 ' A' ' 72' ' ' ILE . 56.1 tp -64.8 -40.07 94.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.964 174.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.05 -37.55 81.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -57.31 -46.77 82.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -64.66 -41.43 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.03 -39.92 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 173.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -66.23 -35.82 81.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.31 -42.7 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.112 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.9 t -75.06 -39.97 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -92.87 -179.99 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -173.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -115.34 18.66 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.0 m -112.15 129.8 23.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.564 0.697 . . . . 0.0 111.134 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -53.47 144.13 52.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.1 -37.03 76.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.96 -20.71 66.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -100.44 -36.58 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -65.93 132.49 48.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -105.18 138.99 40.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.4 tp -126.73 111.54 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -167.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -113.35 139.1 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.5 ' O ' ' C ' ' A' ' 50' ' ' SER . 23.9 t80 -116.63 135.13 54.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 175.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.5 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.6 t -26.14 102.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.851 175.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.85 -80.0 0.55 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.8 mt -97.25 131.79 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.839 0.352 . . . . 0.0 111.106 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -74.81 138.26 42.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.7 mt -91.54 66.22 5.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -170.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.69 -25.25 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -168.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -91.68 113.19 25.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.55 -30.01 68.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.802 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -96.03 -8.94 32.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -170.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -79.97 133.18 36.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.3 m-80 -76.07 155.5 34.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -169.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.8 -40.53 80.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -62.08 -40.8 97.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 177.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.98 -30.53 71.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -80.02 -18.98 48.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.02 27.52 13.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.511 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -80.98 119.09 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.953 0.406 . . . . 0.0 111.099 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.0 p -112.27 -169.9 1.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.237 -174.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.15 -6.02 53.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -113.93 13.41 18.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.5 t -53.24 126.25 20.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.869 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -109.84 114.78 28.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.828 173.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.54 HD11 HG22 ' A' ' 10' ' ' VAL . 44.3 pt -119.19 142.39 34.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.2 t -107.96 126.79 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 175.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.7 t -119.84 134.28 63.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.12 -169.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -116.34 139.55 50.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.0 mt -102.26 135.21 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -125.31 66.33 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.1 p -158.85 159.6 35.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 173.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.3 mt -108.34 -55.16 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -72.23 149.62 44.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.4 mtm180 -101.42 153.32 19.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.93 150.95 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.031 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.32 -62.87 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.3 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 173.676 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.12 175.02 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 m -70.13 -17.14 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -89.03 82.67 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -171.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -93.64 149.91 20.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.824 -175.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 pt -137.47 158.54 34.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 173.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -103.97 140.85 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 171.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -125.79 132.61 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.073 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -96.36 114.48 26.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.423 HG12 ' CE1' ' A' ' 12' ' ' PHE . 47.0 t -112.01 121.22 64.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -111.85 123.19 49.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 -169.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.613 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 1.2 m-85 -108.77 163.55 16.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.952 171.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.613 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 41.6 Cg_endo -63.78 -27.49 67.93 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.422 176.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 98.8 p -97.3 -26.39 14.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -175.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -167.25 151.8 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.957 -172.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -127.64 149.39 50.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 175.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -164.95 169.18 16.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -112.57 153.07 28.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.4 m -130.17 159.64 42.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -107.87 118.44 36.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 177.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 m -136.06 174.13 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 -174.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -104.57 138.45 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 176.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.79 -23.58 64.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -176.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.7 p -92.91 -8.71 42.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -79.14 156.26 28.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 173.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 60.9 p -77.73 163.16 26.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 54' ' ' LEU . 9.9 p -63.57 -21.82 29.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -177.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p -66.79 -27.43 67.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.9 m -68.73 -38.8 80.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.3 tp -62.68 -40.98 98.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 172.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.59 -36.76 85.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.47 -42.89 99.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 175.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.4 -41.84 97.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.0 mt -62.69 -39.97 86.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -67.17 -34.23 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -69.73 -45.9 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.95 -45.66 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -98.38 143.8 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -85.21 63.06 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -152.16 140.0 13.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 111.185 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.08 147.47 73.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.85 -34.03 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.07 -26.26 67.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -89.19 -37.27 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.461 ' SD ' ' HB2' ' A' ' 47' ' ' LEU . 19.3 tmm? -71.75 128.89 37.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 177.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -105.42 122.33 45.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.461 ' HB2' ' SD ' ' A' ' 45' ' ' MET . 41.6 tp -118.13 119.46 34.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -172.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -138.28 148.91 45.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -126.11 137.48 53.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -173.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.3 t -38.84 129.75 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.38 -96.85 2.26 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.441 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.3 mt -94.24 128.49 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.117 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -72.61 134.86 45.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 177.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.444 ' HB3' HG21 ' A' ' 27' ' ' VAL . 62.2 mt -85.9 61.87 7.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -172.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.64 -13.6 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -173.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -101.87 110.98 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.35 -29.99 71.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -173.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -87.29 -7.36 57.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -165.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -82.02 145.96 29.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.575 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 75.2 m-80 -84.45 156.04 21.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.86 -43.54 98.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.93 -35.18 79.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 173.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -64.04 -32.36 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -77.97 -16.2 58.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.93 24.36 45.44 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.553 -174.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 92.6 mt -82.02 126.19 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.077 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.0 p -109.04 -177.57 3.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -171.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -72.71 -12.89 61.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -111.65 -3.72 14.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.6 m -68.8 140.04 55.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.54 129.9 55.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 68.6 mt -117.63 131.28 70.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -177.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.37 136.21 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -166.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.0 t -112.2 136.58 47.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.179 -176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -107.65 133.1 52.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 171.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.8 mt -105.71 133.97 49.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.98 -174.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.3 131.23 47.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.88 173.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 93.2 p -80.15 158.55 26.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.632 ' O ' HG22 ' A' ' 79' ' ' ILE . 29.5 mt 54.93 44.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.156 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.7 p30 -97.82 -169.04 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.999 -173.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -146.59 130.07 16.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.95 159.29 40.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -84.54 153.49 23.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.143 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.749 0.309 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.95 56.33 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 56.7 t -130.84 135.44 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -174.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -96.89 -19.55 18.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -174.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -97.21 156.82 16.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.7 mt -130.11 141.02 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 172.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -95.05 136.73 35.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.3 t -123.17 131.75 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -94.92 119.93 34.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.063 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -102.09 114.58 41.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -109.48 115.98 30.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -169.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -105.43 159.82 28.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.669 0.747 . . . . 0.0 110.846 167.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -63.08 -25.1 73.29 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.754 2.303 . . . . 0.0 112.311 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -117.23 -12.38 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -171.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -157.03 165.69 35.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -151.55 141.48 22.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -157.35 163.66 38.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.8 p -114.38 150.81 34.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.16 160.21 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -112.71 126.72 55.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.47 166.84 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.8 t70 -94.33 147.76 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 172.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -68.08 -26.49 65.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -176.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.4 p -91.58 -7.13 51.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -173.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.497 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 65.9 mm-40 -79.98 154.55 28.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 177.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 81.0 p -83.53 165.02 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.072 -178.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.76 -23.57 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -61.01 -38.58 86.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 175.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -65.07 -38.31 90.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.9 tp -62.27 -43.32 99.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 175.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.6 -39.81 92.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.778 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.95 -45.93 90.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.863 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -68.82 -34.41 75.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.18 -40.01 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.023 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -36.14 83.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.8 -39.18 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.13 -39.28 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -90.1 -179.52 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -119.82 39.42 3.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 176.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.3 t -134.93 140.06 33.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 111.2 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.58 145.34 75.94 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.0 pt -66.39 -22.99 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.107 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.84 -25.85 63.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -102.02 -36.33 8.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.7 ttp -64.21 135.23 56.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -106.82 135.9 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.8 tp -117.06 119.43 35.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -122.1 135.75 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.016 -172.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' SER . 57.7 m-85 -102.55 126.68 49.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 171.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' TYR . 40.5 t -33.88 102.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 173.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.19 -60.35 0.33 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' TYR . 93.2 mt -115.69 134.45 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.846 0.355 . . . . 0.0 111.108 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -91.23 111.88 23.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.7 tp -83.66 115.66 22.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.67 6.13 21.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -96.9 106.18 18.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.93 -27.31 68.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -176.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -91.04 -2.68 57.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -170.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -69.99 127.34 32.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 68.7 m-80 -78.34 149.63 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.89 -43.47 83.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -173.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -63.65 -40.36 96.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.52 -30.69 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -77.94 -24.77 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.43 39.28 6.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 169.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.3 pt -83.26 151.5 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.897 0.379 . . . . 0.0 111.05 173.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.4 p -116.54 -179.97 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -175.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.72 -28.03 65.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.779 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -106.18 19.71 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.6 t -61.21 128.38 36.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -107.08 116.57 32.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 173.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.7 mt -120.73 131.3 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -175.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -100.88 129.25 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.206 -172.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.32 130.97 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -112.0 143.67 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.77 132.77 46.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -95.97 144.31 26.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 171.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.2 t -60.01 120.67 10.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.9 pt -129.04 179.28 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -105.61 102.13 11.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -114.57 30.04 7.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.52 154.87 41.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 56.59 36.58 27.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 178.098 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.795 0.331 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.0 -26.94 59.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.118 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.5 m -129.64 148.12 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.123 -175.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.27 63.99 6.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.65 156.11 18.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 175.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.7 pt -128.46 156.98 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -119.84 139.9 51.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.04 149.34 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -91.08 116.86 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.18 114.48 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -106.99 118.38 36.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -169.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 72.4 m-85 -106.05 156.95 35.88 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.644 0.735 . . . . 0.0 110.894 165.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.2 -24.99 76.64 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.4 p -99.2 -25.0 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 63.8 pttt -165.53 160.8 18.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -174.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -131.61 150.63 52.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -157.66 161.31 38.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -102.54 150.0 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.097 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.9 t -127.73 140.7 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.068 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -95.97 116.35 28.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.926 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.9 m -134.99 170.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 -175.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -108.21 145.22 34.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 173.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -65.05 -25.15 67.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.8 p -92.44 -7.04 48.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -79.09 155.83 28.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 74.8 p -84.77 165.01 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -177.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.45 -29.94 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 73.8 p -60.03 -30.04 68.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.82 -179.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 m -67.98 -40.1 83.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.76 -41.04 96.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 173.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.4 -44.78 89.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.948 177.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -57.1 -45.04 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -63.33 -39.25 94.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.97 -41.96 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -66.95 -29.14 68.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.65 -39.25 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.4 t -79.09 -44.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.074 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -126.33 110.7 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -76.26 70.11 2.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.955 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 99.8 m -131.78 134.27 25.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.541 0.686 . . . . 0.0 111.201 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 87.5 Cg_exo -54.06 138.9 71.24 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.602 2.202 . . . . 0.0 112.42 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.6 tp -67.22 -23.56 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.77 -23.1 67.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -100.68 -37.53 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.1 mtp -74.9 144.96 43.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -108.36 131.18 55.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.4 tp -114.61 106.32 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -115.19 137.31 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 30.4 t80 -114.04 139.31 49.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 174.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.0 t -28.22 102.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 175.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.87 -73.6 0.63 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.499 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.4 mt -100.18 131.32 47.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.793 0.33 . . . . 0.0 111.127 -175.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -74.79 135.96 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 172.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.41 69.7 10.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.968 -170.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.12 -35.05 71.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -173.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -95.11 109.73 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -170.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 28' ' ' SER . 92.0 m-20 -67.19 -29.99 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -176.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -92.53 -5.78 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 -171.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -78.48 140.33 38.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.805 174.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 97.8 m-20 -74.98 151.03 38.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -173.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.21 -40.2 93.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -64.28 -39.18 93.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.79 -30.82 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -78.38 -19.96 52.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 176.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.57 30.32 19.02 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -177.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 49' ' ' TYR . 96.5 mt -86.61 122.29 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 111.089 -175.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.6 p -104.54 176.48 5.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -88.33 -0.6 57.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -111.24 -29.87 7.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.1 p -74.09 167.66 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -116.9 145.49 43.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.797 -167.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 90.6 mt -116.7 125.18 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.7 t -106.98 124.97 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -174.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.9 t -122.37 129.53 75.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 -175.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -105.48 127.54 53.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.2 tp -95.82 125.49 40.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -171.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -130.06 90.01 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.807 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.4 m -82.6 -20.43 36.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 79' ' ' ILE . 25.5 mm 55.13 51.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 177.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -95.05 9.57 38.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.27 -61.05 2.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.18 70.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -163.06 150.52 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.638 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.771 0.319 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.95 108.4 19.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.7 t -124.89 106.99 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 65.09 25.44 12.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 -177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.62 144.1 33.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.5 pt -136.47 153.52 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.195 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -102.93 149.22 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.7 t -126.58 132.08 70.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.9 m -88.84 119.01 28.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.174 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.51 HG22 HD11 ' A' ' 72' ' ' ILE . 42.1 t -100.14 114.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -174.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.77 115.46 30.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.989 -175.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.416 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 94.5 m-85 -105.54 159.62 28.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.738 . . . . 0.0 110.886 164.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 21.4 Cg_endo -60.99 -26.97 84.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.227 -178.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -121.37 -8.07 9.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.843 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -145.14 148.79 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -172.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -141.04 146.13 36.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -167.76 165.54 14.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.8 p -111.37 150.04 30.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.188 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.81 157.75 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -112.26 124.21 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.9 m -135.07 168.19 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.159 -177.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -90.4 144.93 25.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -65.18 -33.52 76.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.7 p -90.11 -6.44 55.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -172.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -79.93 158.77 26.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 66.9 p -86.47 169.42 12.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.04 -22.38 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.9 p -65.74 -30.58 71.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.2 m -72.28 -36.75 69.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.418 HD21 HD13 ' A' ' 72' ' ' ILE . 61.7 tp -61.82 -39.64 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.848 170.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.0 -36.85 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 176.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -58.49 -45.31 88.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.816 177.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -63.35 -39.62 95.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.64 -41.41 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -66.16 -36.12 82.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.92 -42.53 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.08 -40.06 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -94.96 -178.85 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -175.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -118.16 24.91 10.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.7 m -115.74 128.5 25.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.504 0.668 . . . . 0.0 111.108 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -53.08 143.4 50.87 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.743 2.295 . . . . 0.0 112.317 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.07 -35.14 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.93 -22.75 66.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -99.57 -37.68 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.28 133.54 51.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -107.03 138.32 43.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.53 118.52 28.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -171.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -123.35 141.79 51.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.926 175.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.456 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.9 t80 -115.77 136.73 52.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.6 t -30.83 103.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.844 175.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.38 -82.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.0 mt -95.13 129.88 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.338 . . . . 0.0 111.095 -176.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -74.12 133.12 42.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.6 mt -85.16 64.6 8.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.963 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.49 -24.85 22.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -169.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -90.63 111.32 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -172.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.33 -28.95 68.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -173.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -94.19 -8.46 39.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -172.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -82.28 135.06 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-20 -79.13 156.69 28.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -170.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.41 -41.48 93.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -60.96 -41.74 96.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.77 -30.7 71.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.74 -19.92 47.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.937 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.08 29.65 14.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.488 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.1 mm -81.86 123.3 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.391 . . . . 0.0 111.124 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.1 p -110.23 -177.38 3.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -174.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.88 -25.04 67.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -112.9 5.61 17.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -170.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 m -65.45 139.44 58.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.818 -176.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -112.31 129.82 56.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.51 HD11 HG22 ' A' ' 10' ' ' VAL . 46.2 pt -117.15 143.75 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.43 125.27 62.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -121.3 135.86 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -170.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -116.16 139.51 50.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.985 -178.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.7 mt -101.57 135.15 43.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -125.47 69.8 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.2 p -163.15 158.91 22.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 176.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.5 mt -107.76 -54.96 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.99 155.2 35.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -114.39 175.04 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.03 153.17 48.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.75 -64.54 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 175.326 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -98.9 150.02 22.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 pt -136.36 151.75 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -105.36 143.49 33.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.92 134.87 65.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.3 m -91.87 116.9 29.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.9 t -104.8 116.13 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -104.93 122.93 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -108.67 157.41 36.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.871 166.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -60.81 -25.62 81.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -103.89 -24.31 13.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -175.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -159.96 163.15 34.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -172.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -130.91 152.52 50.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -160.07 150.73 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.1 p -111.59 147.9 34.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -130.0 158.87 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -112.05 123.38 50.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.11 171.83 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.9 t70 -98.99 144.04 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 176.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -67.71 -26.81 66.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.1 p -88.29 -9.01 54.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -175.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 67.7 mm-40 -80.03 155.68 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 175.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 78.5 p -83.39 164.98 19.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.184 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.38 -23.53 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.1 p -65.0 -29.86 70.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -71.44 -36.25 71.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.8 tp -62.39 -40.81 97.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.953 170.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.91 -34.56 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -58.35 -44.64 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -64.44 -40.79 96.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.3 -40.09 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -66.14 -36.72 83.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.99 -40.36 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.07 -38.87 56.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -96.59 -178.21 4.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -174.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -117.03 22.99 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.2 m -116.3 131.95 23.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 111.141 -176.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.12 145.2 93.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.34 -35.45 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -175.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.6 -20.82 65.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.0 -38.19 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.842 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 73.3 mtm -60.06 136.52 58.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -109.99 143.88 39.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 175.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 tt -127.19 122.87 35.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.987 -172.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -119.27 131.42 55.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' O ' ' C ' ' A' ' 50' ' ' SER . 43.1 t80 -103.49 135.53 44.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.949 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.491 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.1 t -28.54 103.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 175.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.53 -73.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 174.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.4 mt -104.41 133.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 111.129 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -90.88 112.91 24.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.8 tp -81.79 111.47 18.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.97 1.9 40.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -96.4 108.6 21.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.25 -29.7 70.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -92.59 -2.27 56.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -169.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -70.21 129.17 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 176.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 70.8 m-80 -76.06 147.41 38.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.57 -46.95 80.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -63.19 -41.89 99.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.9 -25.25 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -89.8 -18.91 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.03 27.32 7.44 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.46 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mm -84.73 122.01 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 0.0 111.058 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.6 p -113.77 -168.76 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -78.62 -4.03 46.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -114.15 10.47 17.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -55.99 128.5 35.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 -174.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -109.16 111.23 22.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.41 127.02 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -99.17 125.26 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.0 t -117.35 131.69 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.036 -171.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -174.9 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.51 143.89 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.4 pt -136.6 151.9 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -101.89 146.32 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.0 t -125.87 131.85 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 100.0 m -89.28 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.519 HG22 HD11 ' A' ' 72' ' ' ILE . 44.8 t -97.74 114.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -177.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.9 mttt -104.95 118.77 37.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -175.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.29 163.25 17.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.591 0.71 . . . . 0.0 110.839 165.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -53.64 -35.57 78.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.632 2.222 . . . . 0.0 112.271 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p -122.09 -5.66 8.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -168.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -157.9 162.0 38.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -172.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 83.8 mt-30 -142.04 150.6 41.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -139.34 156.5 46.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.4 m -106.38 136.5 46.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.227 172.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.9 m -128.52 158.04 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.08 177.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -118.44 127.42 53.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.49 171.01 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 -177.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -94.49 144.54 25.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -65.93 -34.47 78.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -88.97 -6.74 57.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.038 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -78.65 156.93 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.941 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 75.6 p -86.01 171.1 11.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.12 -30.79 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -58.83 -29.56 66.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -72.0 -39.76 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 173.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.07 -47.42 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -69.24 -35.37 76.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.915 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.35 -44.28 88.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.812 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -69.89 -37.6 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.58 -37.58 78.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 171.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -66.38 -38.47 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.76 -39.83 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 176.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.79 -40.28 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -97.58 -178.13 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -175.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -115.84 23.02 12.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.6 m -109.58 128.76 24.84 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.619 0.723 . . . . 0.0 111.074 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.41 143.4 54.74 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.763 2.309 . . . . 0.0 112.287 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.5 mt -59.06 -37.7 69.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.45 -20.93 66.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -100.96 -34.84 9.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -69.91 133.39 47.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -106.51 134.41 49.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.0 tp -119.69 114.99 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -173.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -116.55 141.5 48.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.501 ' O ' ' C ' ' A' ' 50' ' ' SER . 18.4 t80 -116.9 134.08 55.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.3 t -24.79 102.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 172.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.35 -79.6 0.59 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.2 mt -98.24 131.43 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.189 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -76.55 138.23 40.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.9 mt -89.47 65.38 7.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -170.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.63 -20.31 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -169.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -92.19 114.3 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.81 -35.87 82.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.813 -175.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -95.69 -8.63 34.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -166.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -79.34 134.64 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.858 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 71.8 m-80 -77.92 154.18 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -170.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.09 -41.93 84.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.02 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -58.88 -42.6 89.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.99 -29.72 69.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -176.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -78.69 -19.92 51.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.52 28.33 13.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -175.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -80.1 111.92 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 111.145 -178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.1 p -102.64 -177.99 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -172.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.11 -17.09 64.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -112.19 18.62 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.9 t -52.09 130.16 29.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -111.72 114.47 27.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 172.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.519 HD11 HG22 ' A' ' 10' ' ' VAL . 43.2 pt -120.14 143.65 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 -177.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.6 t -109.04 129.2 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.3 t -120.33 130.58 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -172.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -178.239 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.815 0.341 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -105.02 139.13 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 pt -137.12 154.11 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -112.03 130.69 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 170.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.9 t -109.64 134.5 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.096 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.1 m -86.09 118.71 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.517 HG22 HD11 ' A' ' 72' ' ' ILE . 48.1 t -97.45 114.92 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -178.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -108.46 115.58 30.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -104.61 163.4 17.31 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 165.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.84 -33.51 81.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.749 2.3 . . . . 0.0 112.303 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -125.62 -6.1 6.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -172.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -140.89 147.44 38.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -172.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -140.63 146.16 37.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 176.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -168.01 166.04 13.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.9 p -111.11 149.18 31.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.253 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.1 156.08 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.094 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -109.21 123.54 49.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -176.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.37 168.09 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.165 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.416 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 8.8 t70 -98.84 148.79 23.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -64.49 -31.15 72.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -86.59 -5.26 59.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.065 -174.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HG3' ' HB3' ' A' ' 22' ' ' ASP . 95.5 mt-10 -84.75 157.93 20.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.979 0.419 . . . . 0.0 110.846 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 29.5 p -85.66 176.06 8.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 173.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.9 m -65.33 -15.15 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 176.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -55.23 -45.31 75.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.2 p -71.38 -33.98 70.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD21 HD13 ' A' ' 72' ' ' ILE . 58.7 tp -64.22 -41.57 96.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -71.53 -34.09 69.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -57.31 -46.49 83.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -63.39 -42.13 98.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.92 -40.03 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -67.05 -36.03 81.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.96 -43.69 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.051 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.9 t -73.43 -39.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -94.89 -178.97 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.975 -175.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -116.67 21.23 13.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.8 m -112.93 129.5 24.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.562 0.696 . . . . 0.0 111.058 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.23 144.29 48.86 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.38 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.77 -36.62 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.95 -21.06 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.09 -37.7 8.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.7 tmm? -65.59 133.59 51.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -106.03 136.95 44.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.3 tp -125.72 112.8 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -170.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -114.65 138.9 50.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.502 ' O ' ' C ' ' A' ' 50' ' ' SER . 36.8 t80 -115.64 136.2 53.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 174.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.7 t -25.94 102.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 173.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.89 -76.68 0.53 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.4 mt -96.04 129.27 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.32 134.59 42.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 171.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.4 mt -90.09 67.58 7.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -169.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.7 -19.38 19.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -166.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -94.47 109.62 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.65 -32.33 73.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.761 -169.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -93.45 -7.17 45.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -170.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -76.61 133.34 39.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-80 -77.28 153.53 33.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -170.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.62 -38.77 75.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -61.6 -39.6 91.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 176.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -67.98 -29.97 69.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -75.36 -19.93 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.91 29.77 16.94 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.445 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.4 mm -79.44 116.75 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 0.0 111.131 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -104.59 -179.44 3.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.155 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.91 -30.72 66.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -109.71 16.35 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -59.5 132.43 53.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -110.94 128.27 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.517 HD11 HG22 ' A' ' 10' ' ' VAL . 38.0 pt -118.65 143.48 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 -177.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -108.41 126.16 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.1 t -122.11 135.08 63.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -168.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.933 -178.829 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.846 0.355 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -95.48 141.19 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.82 -171.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 pt -136.55 150.82 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -95.88 134.75 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.767 175.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.2 t -115.21 129.3 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 172.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.7 m -90.35 115.75 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.141 171.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.5 t -100.17 117.09 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 -176.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -104.11 121.4 43.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -173.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.0 158.8 31.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 163.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -58.17 -31.95 94.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -102.86 -26.97 12.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -144.55 160.57 40.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -168.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -134.2 148.1 50.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -140.0 154.52 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.3 m -103.17 133.63 47.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.186 168.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.9 t -127.5 142.72 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.158 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -108.14 118.61 37.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 m -137.24 177.19 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 -172.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -115.39 137.21 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.885 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -66.96 -20.13 65.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -172.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.3 p -89.98 -11.57 41.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -85.79 158.63 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 173.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 60.6 p -84.95 172.69 11.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.22 -22.14 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.4 p -64.77 -31.28 72.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -66.6 -42.07 87.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.762 172.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.63 -39.64 92.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 174.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.71 -42.2 97.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.31 -45.01 88.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.34 -40.44 85.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.998 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.48 -38.46 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -68.19 -36.27 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.6 mt -67.86 -45.0 84.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.7 t -74.22 -50.61 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 -174.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -97.55 145.53 26.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -84.85 74.19 10.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 8.8 t -155.47 136.61 9.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 111.154 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 51.0 Cg_exo -58.24 143.48 97.06 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.33 -36.26 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.78 -24.98 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -91.37 -27.11 18.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -175.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -89.95 133.55 34.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -110.06 128.46 55.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.5 tp -109.22 114.79 28.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -135.77 159.66 40.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -139.91 134.78 32.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -166.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -38.47 130.03 1.35 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.16 -98.18 2.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.8 mt -93.52 126.52 45.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 111.134 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.32 138.8 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.2 mt -85.69 60.05 6.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -166.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.84 -16.9 34.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.005 -170.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -97.26 105.21 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.83 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -65.12 -26.43 68.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.24 -7.37 48.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -171.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -83.42 136.88 34.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.847 176.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 76.0 m-20 -81.13 155.58 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.73 -41.43 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -62.93 -38.51 91.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.77 -23.96 63.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -78.55 -17.27 56.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.77 22.23 56.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.6 mt -83.68 130.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.156 -174.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.2 p -108.0 178.67 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.174 -171.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -77.4 -3.37 39.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.818 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -112.55 -7.45 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.3 m -66.35 146.44 54.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -176.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -117.59 129.8 56.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 174.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.1 mt -117.38 132.75 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.6 t -110.03 139.2 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 -165.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -110.68 131.9 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.5 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 172.88 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.948 0.404 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -99.29 153.88 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 pt -140.07 150.19 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 171.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -97.48 126.14 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.797 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.8 t -114.15 124.93 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.1 m -89.96 116.1 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.3 t -96.92 117.68 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -107.88 121.85 45.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -113.77 156.49 43.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.708 . . . . 0.0 110.974 163.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -61.26 -24.16 78.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.411 173.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 99.2 p -91.79 -31.2 15.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -165.55 157.43 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.964 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -129.3 149.84 50.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 176.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -159.27 163.02 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -178.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -120.2 141.39 49.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.0 m -126.97 160.13 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.071 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -107.63 119.34 39.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.93 167.97 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -104.37 128.75 52.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -69.19 -22.33 63.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -171.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.6 p -91.05 -8.48 48.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -85.74 163.61 18.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 170.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 80.7 p -79.69 165.96 22.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 54' ' ' LEU . 8.9 p -64.89 -19.89 26.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -62.71 -26.26 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -176.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 m -66.2 -40.94 90.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.33 -39.93 94.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 174.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.16 -40.01 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -58.35 -45.54 87.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 173.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.41 -40.76 95.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.82 -40.8 90.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -66.07 -34.59 78.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.21 -47.1 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.3 t -81.28 -40.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 5.8 tp10 -100.01 145.28 28.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -176.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -88.24 71.01 9.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.8 m -155.81 125.49 3.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.182 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -52.09 141.54 47.47 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.426 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.7 mt -60.86 -37.75 77.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.966 0.412 . . . . 0.0 111.127 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -68.43 -19.58 64.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -102.15 -33.9 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -63.82 130.08 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -101.27 126.13 47.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.411 ' HG ' ' HB2' ' A' ' 54' ' ' LEU . 67.3 tp -120.31 116.54 25.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -174.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -134.27 154.19 51.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -143.47 136.83 28.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -173.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.2 t -38.3 128.63 1.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 174.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.23 -99.26 2.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.505 -172.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.3 mt -94.03 127.31 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 0.0 111.153 -177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.56 135.6 50.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.416 ' HB3' HG21 ' A' ' 27' ' ' VAL . 46.7 mt -84.03 63.61 7.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -170.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.22 -8.05 15.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 -173.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -93.68 105.59 17.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -65.47 -26.74 68.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -91.93 -11.48 36.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -171.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -79.96 134.75 36.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.548 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 76.4 m-20 -79.91 156.28 27.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 -176.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 99.3 mt -58.18 -38.97 77.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -64.37 -39.32 93.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.57 -25.98 65.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -75.28 -21.61 58.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 174.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.52 24.89 44.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -87.19 130.97 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.346 . . . . 0.0 111.174 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.6 p -107.87 177.0 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 -171.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -76.33 -5.43 47.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.801 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -110.41 -8.2 14.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 m -63.39 130.13 43.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -108.44 127.0 53.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 174.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.76 124.86 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -173.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.3 t -94.9 128.9 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.1 t -116.34 135.51 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.0 t80 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.837 -174.905 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -103.7 139.94 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.4 HD12 HG22 ' A' ' 66' ' ' ILE . 45.2 pt -136.96 155.3 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -108.13 144.78 35.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 170.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.6 t -123.13 134.32 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -88.44 119.7 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.514 HG22 HD11 ' A' ' 72' ' ' ILE . 46.3 t -100.58 115.85 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 -175.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 96.0 mttt -104.95 117.55 34.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -176.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -109.8 158.25 35.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 162.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.41 -26.33 76.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.227 . . . . 0.0 112.288 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.0 p -105.59 -20.02 13.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -174.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -158.12 160.21 37.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -172.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.407 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 82.6 mt-30 -139.81 150.0 44.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 172.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -164.31 166.56 20.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.5 p -111.12 150.02 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.158 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.6 m -128.54 155.75 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -109.38 121.35 45.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.25 170.41 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -100.28 141.07 33.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 176.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -66.25 -25.09 66.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -175.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.0 p -92.04 -7.62 48.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -79.29 157.6 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 67.3 p -83.74 167.48 17.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -174.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.19 -33.61 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 p -62.12 -29.09 70.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.6 m -71.29 -39.32 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.1 -40.43 97.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 173.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.09 -37.92 89.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.2 -43.61 92.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -62.31 -40.98 98.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.0 -40.23 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 172.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -66.58 -34.42 77.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.8 -42.65 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.069 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.3 t -76.05 -39.98 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -94.65 179.95 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -173.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -115.72 21.79 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -114.72 129.78 24.69 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -53.69 144.98 51.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 0.0 112.357 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.56 -36.85 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.53 -21.75 65.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.948 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -99.81 -37.68 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -64.99 134.31 53.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -106.28 138.6 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.6 tp -127.92 119.04 24.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -119.35 142.45 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' C ' ' A' ' 50' ' ' SER . 18.4 t80 -115.06 134.77 54.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.9 t -29.54 103.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.774 176.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.79 -84.57 0.73 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.3 mt -93.82 129.06 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 111.141 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.39 135.67 45.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.33 61.61 6.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.25 -36.43 77.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -171.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -85.45 113.26 21.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -171.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -64.75 -34.5 78.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -97.05 -6.93 34.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -166.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -74.37 141.54 45.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 98.4 m-20 -74.83 149.45 39.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -174.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 97.0 mt -60.3 -42.81 96.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -60.45 -37.61 81.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.779 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -67.33 -29.92 69.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -177.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -80.67 -19.96 44.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.53 27.17 8.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.462 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 6' ' ' ILE . 39.6 mm -79.9 116.54 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.975 0.417 . . . . 0.0 111.117 178.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.7 p -107.48 -177.36 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 -173.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.73 -15.9 63.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -110.47 16.84 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.1 t -55.38 133.87 49.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -121.7 118.09 28.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.514 HD11 HG22 ' A' ' 10' ' ' VAL . 47.3 pt -119.08 142.92 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -176.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.9 t -107.7 126.1 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.73 135.14 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 -168.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -178.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.879 0.371 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -105.01 143.44 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 174.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.409 HD12 HG22 ' A' ' 66' ' ' ILE . 42.6 pt -137.14 153.31 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -178.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -105.0 146.11 29.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 173.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.5 t -123.61 131.8 72.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.7 m -87.77 120.38 29.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 72' ' ' ILE . 44.6 t -99.81 113.87 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 -177.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -105.91 115.43 30.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -174.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -105.22 157.96 33.19 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.927 164.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -62.1 -24.93 76.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -107.46 -19.99 13.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -174.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -157.25 160.1 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.87 -172.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -138.93 148.9 44.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -162.62 165.13 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -111.2 150.28 29.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.199 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.82 158.46 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -111.95 124.65 52.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.01 170.73 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.9 t70 -94.78 146.61 24.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -65.13 -33.18 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.3 p -89.44 -7.68 54.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 -172.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 64.4 mm-40 -78.7 156.63 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.917 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 74.4 p -85.03 170.0 13.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.36 -19.84 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -62.32 -29.82 70.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.3 m -73.94 -37.56 64.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 173.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.6 tp -65.07 -46.33 81.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -69.09 -31.59 70.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.4 -43.62 83.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.874 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -62.83 -41.36 99.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.23 -40.96 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 175.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -66.51 -36.63 83.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.0 -43.2 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.3 t -72.83 -40.06 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -94.44 -179.9 5.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -175.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -115.8 20.96 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.4 m -110.7 129.33 24.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.532 0.682 . . . . 0.0 111.114 -176.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -53.28 142.87 55.39 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.774 2.316 . . . . 0.0 112.341 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.3 mt -58.78 -37.32 65.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.48 -21.73 66.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -99.91 -35.97 9.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -65.27 132.46 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -103.92 134.93 46.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.5 tp -124.48 117.91 25.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -170.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -123.23 141.63 51.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.462 ' O ' ' C ' ' A' ' 50' ' ' SER . 17.5 t80 -115.54 135.31 54.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.6 t -31.06 103.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.78 -81.63 0.58 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.519 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.8 mt -95.8 128.5 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.074 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.46 136.08 42.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.868 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.8 mt -85.02 61.91 7.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.02 -36.86 24.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 -167.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -91.8 125.82 36.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -169.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -70.07 -36.75 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -78.25 -12.45 60.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -170.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -80.02 140.02 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-80 -82.49 156.91 23.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -176.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.29 -41.62 84.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.024 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -61.64 -38.81 89.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.11 -29.1 69.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -80.74 -18.58 47.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.867 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.76 27.37 17.11 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -173.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.409 HG22 HD12 ' A' ' 6' ' ' ILE . 35.0 mm -79.24 116.87 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.922 0.392 . . . . 0.0 111.167 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.0 p -110.58 -179.14 3.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 -175.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.05 -23.73 62.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -108.41 16.8 22.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -175.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.4 t -55.95 135.45 52.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -120.51 116.95 26.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.883 174.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.49 HD11 HG22 ' A' ' 10' ' ' VAL . 46.9 pt -116.54 143.4 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.76 126.32 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.97 134.87 65.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.875 -179.059 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -105.56 146.85 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 173.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 pt -137.31 154.42 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -112.09 140.35 46.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.0 t -116.85 134.73 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.5 m -86.1 118.08 25.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.521 HG22 HD11 ' A' ' 72' ' ' ILE . 52.3 t -96.66 114.99 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 97.8 mttt -105.91 114.46 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 95.0 m-85 -104.93 159.41 29.44 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.656 0.741 . . . . 0.0 110.894 161.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 27.4 Cg_endo -61.26 -24.96 79.86 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.725 2.284 . . . . 0.0 112.275 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.7 p -117.76 -13.06 10.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -173.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -151.0 151.64 32.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 82.2 mt-30 -138.92 149.51 44.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 171.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -164.94 164.97 20.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.7 m -110.63 141.1 44.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.22 -175.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.6 m -124.4 153.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -108.71 125.06 51.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -176.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.1 m -136.59 169.03 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.458 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 9.7 t70 -96.51 151.73 19.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 178.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -63.45 -35.22 79.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -86.58 -5.13 59.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 -172.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 55.2 mm-40 -82.59 157.99 23.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.917 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 66.0 p -87.86 172.26 9.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 m -66.22 -24.9 34.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -66.55 -29.43 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.8 m -71.43 -38.97 71.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 172.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.4 -40.35 96.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 171.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -66.82 -36.97 83.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.4 -43.56 92.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 175.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -61.89 -41.27 97.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.76 -40.26 87.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -65.89 -35.29 80.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.833 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.31 -42.48 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.09 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.7 t -74.98 -40.0 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -92.95 179.94 5.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -115.68 20.57 14.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.0 m -113.15 129.65 24.34 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.541 0.686 . . . . 0.0 111.109 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.53 144.9 49.67 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.633 2.222 . . . . 0.0 112.404 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 95.6 mt -59.77 -37.32 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.91 -20.81 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -99.98 -37.97 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.08 134.86 54.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -106.51 136.72 45.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.5 tp -124.74 115.3 20.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -171.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -114.17 137.63 51.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' SER . 34.6 t80 -115.0 136.27 53.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 175.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.1 t -23.7 102.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.807 173.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.11 -75.06 0.6 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.4 mt -98.95 131.03 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.123 -173.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -76.29 135.73 39.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 172.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 66.4 mt -93.7 70.24 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -170.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.61 -15.27 19.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -169.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -101.71 116.11 32.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -75.95 -29.36 58.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -174.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -78.13 -11.96 59.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -175.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -85.16 137.36 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 20.1 p30 -95.81 166.33 11.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -172.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.54 -37.16 75.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -174.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.1 -37.05 86.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.18 -28.0 68.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -89.35 -7.26 55.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.08 32.45 35.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -176.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.1 mm -76.77 111.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.962 0.411 . . . . 0.0 111.115 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.9 p -105.09 -178.47 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.206 -172.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.49 -26.04 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -110.37 22.94 14.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -173.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.7 t -53.99 129.8 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -176.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -113.4 116.3 29.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 174.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.521 HD11 HG22 ' A' ' 10' ' ' VAL . 40.0 pt -119.19 142.65 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.4 t -109.0 126.87 66.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.0 t -121.08 135.13 62.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -168.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.906 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -105.35 144.08 32.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 pt -136.55 154.4 32.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -103.93 149.5 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 172.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.18 130.01 73.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -87.53 120.06 28.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.519 HG22 HD11 ' A' ' 72' ' ' ILE . 42.4 t -99.8 114.57 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.164 -177.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.79 115.58 30.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -175.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -104.36 159.48 29.17 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 162.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -61.33 -25.3 80.09 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.666 2.244 . . . . 0.0 112.298 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.1 p -120.7 -11.33 9.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -144.53 149.69 36.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -172.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -140.01 146.31 38.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -165.0 164.82 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 173.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.2 p -113.02 149.98 32.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.164 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.73 158.29 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -112.29 124.15 51.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.2 m -137.04 170.74 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -92.75 146.56 23.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -65.36 -32.63 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -89.8 -5.21 57.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.157 -173.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -79.95 158.95 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.0 p -89.53 168.61 12.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.235 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -65.12 -19.99 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.4 p -61.96 -30.16 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.1 m -75.06 -37.4 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 172.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.88 -45.37 86.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -68.74 -31.57 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -58.53 -43.78 89.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 173.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -62.04 -41.35 98.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.59 -41.85 91.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -67.87 -35.66 78.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.08 -42.93 95.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.2 t -71.98 -40.55 67.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -95.04 -175.6 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -175.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -124.2 22.59 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.7 m -113.24 130.45 23.62 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.544 0.687 . . . . 0.0 111.143 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -54.09 143.76 61.09 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.65 -35.75 61.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.11 -21.82 66.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.12 -26.37 14.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.974 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -76.21 133.24 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -106.33 133.4 51.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.8 tp -119.82 110.62 16.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -170.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -116.07 138.88 50.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.475 ' O ' ' C ' ' A' ' 50' ' ' SER . 24.0 t80 -115.02 137.15 52.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 175.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.9 t -28.79 103.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.814 175.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.24 -79.57 0.52 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.57 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.2 mt -96.79 131.02 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.1 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -74.34 134.41 42.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 173.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.0 mt -85.78 64.15 8.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -172.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.98 -29.68 19.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 -167.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -93.93 118.85 32.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -170.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -68.76 -35.62 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -174.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -78.24 -12.65 60.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -80.11 139.71 36.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -83.82 157.29 22.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.82 -41.14 86.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -61.36 -39.08 89.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.33 -27.73 67.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -79.98 -18.65 49.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.33 29.12 15.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.455 -173.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.9 mm -79.78 114.39 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 111.063 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.0 p -103.92 178.65 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.04 -27.04 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -110.09 19.3 19.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -175.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 88.6 p -56.21 145.46 26.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -126.26 118.35 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.519 HD11 HG22 ' A' ' 10' ' ' VAL . 45.3 pt -115.94 143.29 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.2 t -108.69 127.11 65.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.21 130.82 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -170.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.959 -176.326 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.916 0.389 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -103.41 134.9 46.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.3 pt -137.59 152.82 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 175.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -105.43 144.64 31.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 171.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.88 130.64 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.097 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.6 m -86.11 119.71 26.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.512 HG22 HD11 ' A' ' 72' ' ' ILE . 39.8 t -97.61 114.22 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -177.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -105.44 116.27 31.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -175.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.405 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 89.5 m-85 -106.28 160.06 27.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.663 0.744 . . . . 0.0 110.939 163.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 31.2 Cg_endo -62.49 -25.55 75.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.257 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p -115.74 -15.16 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.982 0.42 . . . . 0.0 110.821 -172.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -152.89 160.86 43.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.888 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -141.53 149.47 40.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 172.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -162.8 165.07 25.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -111.25 150.09 30.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -175.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.97 158.62 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 175.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -114.19 122.87 48.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.09 168.74 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -90.72 141.24 29.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 178.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -66.8 -33.83 76.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.7 p -88.8 -5.91 57.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 -174.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -83.62 156.41 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 81.1 p -82.21 169.84 16.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.196 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.1 m -66.68 -21.15 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.085 -176.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -61.55 -30.72 70.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -71.29 -41.02 70.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.38 -47.38 86.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -69.92 -34.75 73.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.64 -46.39 90.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.59 -38.59 84.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.77 -38.3 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 171.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -66.32 -37.5 85.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.64 -39.94 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.9 t -68.67 -40.79 82.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -94.38 -177.94 4.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -121.6 26.51 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -109.81 127.44 27.12 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 111.111 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -52.92 143.42 49.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.785 2.324 . . . . 0.0 112.358 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.72 -37.4 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.123 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.8 -21.04 66.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.03 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -99.94 -34.48 10.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 63.0 ttp -74.74 134.22 41.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -106.48 134.69 49.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.5 tp -115.12 117.93 31.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -121.47 140.63 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.481 ' O ' ' C ' ' A' ' 50' ' ' SER . 19.0 t80 -115.17 135.65 53.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.9 t -28.16 103.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.818 174.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.12 -76.92 0.52 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.569 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.5 mt -99.62 130.69 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.037 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -75.36 135.86 40.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.9 mt -85.31 66.62 9.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.944 -174.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.77 -23.46 18.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.144 -170.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -88.96 112.72 23.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.12 -30.23 70.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.39 -10.5 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -170.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -81.08 133.22 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.83 175.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.2 m-80 -79.55 156.97 27.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -171.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.23 -42.84 96.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.958 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -55.5 -45.24 77.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 172.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.08 -30.06 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -77.69 -19.38 55.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.02 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.8 29.05 13.97 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.42 -175.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.0 mm -83.19 116.93 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.966 0.412 . . . . 0.0 111.118 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.5 p -108.88 -177.27 3.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.42 -17.76 64.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -109.06 16.29 22.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.942 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.0 t -55.15 133.28 48.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -116.63 114.92 24.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 174.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.512 HD11 HG22 ' A' ' 10' ' ' VAL . 45.5 pt -119.36 143.42 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -177.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.0 t -109.56 130.11 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -121.56 134.07 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -172.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -175.457 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.812 0.339 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -105.61 144.89 31.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.3 pt -135.79 150.01 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 176.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -101.13 147.59 26.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.6 t -123.51 128.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -88.51 118.41 28.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.493 HG22 HD11 ' A' ' 72' ' ' ILE . 36.4 t -101.46 114.42 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.224 -174.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -108.73 112.63 25.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -174.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.574 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 50.9 m-85 -94.43 165.95 16.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 162.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.574 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 22.5 Cg_endo -62.23 -28.13 78.96 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.651 2.234 . . . . 0.0 112.274 -177.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.3 p -133.25 12.77 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -154.26 149.33 26.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -139.73 145.67 38.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 173.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -161.39 162.42 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 172.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.6 p -112.53 149.87 32.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.224 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -131.12 158.29 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 176.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -113.14 124.21 52.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.38 168.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -175.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -90.0 144.33 26.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -65.52 -32.92 74.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -90.05 -5.41 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -173.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -80.63 158.56 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 80.7 p -88.73 170.04 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.202 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.78 -21.93 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.9 p -65.12 -29.93 70.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.1 m -72.39 -37.99 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 172.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.74 -47.92 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -68.98 -32.91 72.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -174.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.79 -45.39 94.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.93 -38.28 85.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.02 -39.12 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 172.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -65.83 -36.79 84.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.71 -40.08 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.9 -39.9 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -94.85 -176.6 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -124.14 27.96 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.1 m -114.32 129.81 24.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.599 0.714 . . . . 0.0 111.054 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.54 141.35 63.07 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.33 -34.23 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.14 -22.98 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -97.95 -36.35 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.7 ttm -69.79 132.94 46.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -104.4 136.47 43.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.3 tp -121.16 118.14 28.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -171.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -127.26 143.3 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.462 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.6 t80 -115.14 136.57 52.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 175.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.1 t -30.71 103.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.67 -82.95 0.62 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.47 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.6 mt -94.69 131.18 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 111.095 -175.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -74.43 135.03 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.8 mt -84.71 62.76 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.977 -177.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.48 -22.71 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -170.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -92.71 112.06 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -175.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -64.85 -31.5 72.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -94.53 -7.91 39.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -169.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -81.44 134.12 35.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 72.5 m-80 -79.52 156.58 27.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -169.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.85 -41.37 91.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.43 -41.69 94.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.63 -30.27 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -77.67 -19.93 54.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.913 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.02 30.06 13.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -175.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.3 mm -81.71 114.26 22.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.956 0.408 . . . . 0.0 111.115 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -100.59 179.17 4.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.198 -172.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.34 -27.56 67.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -110.33 21.0 17.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -175.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 99.3 p -57.36 144.89 34.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -175.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -124.65 120.47 31.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 10' ' ' VAL . 40.0 pt -116.64 143.43 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -101.17 125.22 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.02 130.08 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.038 -175.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -169.88 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.813 0.339 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -104.02 144.19 31.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 172.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.6 pt -136.48 151.08 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -102.52 146.18 28.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 173.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -124.64 131.03 73.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -87.07 119.31 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.527 HG22 HD11 ' A' ' 72' ' ' ILE . 38.4 t -99.82 112.94 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -176.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.7 mttt -105.14 118.28 36.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -174.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -104.55 163.79 16.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.737 0.779 . . . . 0.0 110.843 166.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -53.34 -36.42 78.58 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p -122.79 -4.48 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -168.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -157.7 162.52 38.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -172.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 83.7 mt-30 -142.22 149.92 40.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.789 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -139.08 156.25 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.1 m -106.04 137.1 44.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.208 172.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.9 m -127.95 158.09 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.135 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -118.82 128.07 54.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.3 m -136.09 170.74 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.027 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.84 144.82 25.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -64.97 -32.72 74.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -87.61 -5.37 58.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -173.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -81.9 159.15 23.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.961 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 78.4 p -89.44 171.21 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.99 -22.5 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.3 p -64.63 -30.01 71.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -71.99 -38.97 69.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 172.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.5 -47.31 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -70.08 -34.22 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.45 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.792 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -67.54 -38.5 84.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.69 -38.05 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 172.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -66.24 -37.98 86.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.34 -39.57 85.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.54 -39.71 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -94.97 -173.37 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -126.79 24.99 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.1 m -111.78 129.39 24.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.61 0.719 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -52.6 142.5 49.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.777 2.318 . . . . 0.0 112.329 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.75 -37.3 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.6 -21.17 66.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -99.82 -37.06 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.3 ttp -68.32 134.29 50.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -105.5 137.54 43.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.6 tp -122.65 119.01 29.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -173.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -123.7 141.79 51.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.4 t80 -115.22 136.16 53.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 175.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.8 t -27.1 103.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.812 174.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.7 -77.61 0.55 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.8 mt -99.41 132.07 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.741 0.305 . . . . 0.0 111.153 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -74.25 136.51 42.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 178.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.6 mt -85.59 64.16 8.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.13 -26.95 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -170.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -92.75 116.74 29.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -172.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -68.62 -31.41 70.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -91.41 -9.28 45.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -172.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -86.67 124.34 32.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.887 171.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 18.4 p30 -89.31 165.78 14.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -165.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 94.4 mt -57.59 -38.12 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -172.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -65.13 -39.01 92.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.97 -31.69 72.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -79.49 -17.93 53.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.953 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.34 31.12 10.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.439 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.414 ' HB ' ' HB3' ' A' ' 61' ' ' LEU . 47.2 mm -81.41 113.41 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.99 0.424 . . . . 0.0 111.143 -178.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.5 p -107.51 -177.36 3.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.146 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.81 -18.52 64.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -110.1 19.21 19.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 t -54.36 133.38 45.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -175.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -117.71 115.44 25.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 174.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.527 HD11 HG22 ' A' ' 10' ' ' VAL . 46.1 pt -119.59 143.88 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.4 t -108.13 129.15 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.165 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.44 129.82 75.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -177.533 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -105.25 141.82 36.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 pt -138.58 154.56 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -111.84 124.25 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 170.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.7 t -107.59 137.61 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 -174.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -87.67 117.05 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.48 HG22 HD11 ' A' ' 72' ' ' ILE . 59.9 t -96.73 114.98 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -105.14 116.13 31.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -176.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -102.14 163.74 17.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 167.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -52.71 -35.75 69.83 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.365 -178.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.8 p -123.04 -9.96 8.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -171.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -142.04 160.29 40.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -170.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -137.77 145.36 42.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 172.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -140.68 155.14 46.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.8 m -105.93 137.01 44.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.5 151.6 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.123 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -111.15 122.08 46.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.98 169.79 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.144 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -103.09 142.37 34.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -65.68 -26.1 67.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.6 p -90.73 -8.74 48.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -79.19 156.66 28.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 64.4 p -82.25 166.97 19.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 -176.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.79 -34.71 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.6 p -60.38 -30.79 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -68.37 -40.13 81.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.692 ' O ' HD23 ' A' ' 30' ' ' LEU . 3.5 tt -64.25 -40.28 95.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 174.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.87 -36.69 85.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -57.39 -44.36 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.837 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -62.94 -41.61 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.77 -40.68 89.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 174.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -66.7 -34.24 77.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.34 -42.47 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.108 176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.3 t -72.12 -40.77 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -95.75 -176.88 3.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -121.37 27.99 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.2 m -114.84 129.81 24.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 111.119 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.21 142.81 44.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.23 -34.19 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.75 -21.79 66.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.34 -33.91 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -72.47 134.87 45.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -109.63 133.0 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.817 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.8 tp -117.22 119.81 36.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -174.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -117.76 142.43 47.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.009 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 19.7 t80 -115.33 135.2 54.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 176.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.1 t -28.3 103.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 175.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.67 -81.99 0.6 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.5 mt -97.07 130.66 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.312 . . . . 0.0 111.094 -176.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -74.17 134.98 42.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.28 65.41 9.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.942 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.76 -19.88 26.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -169.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -91.57 109.09 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -65.21 -37.79 88.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 -170.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.35 -5.68 42.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -168.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -74.66 140.1 44.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 97.9 m-20 -75.01 149.9 39.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -172.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.39 -41.27 96.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -61.11 -38.0 84.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -67.63 -30.21 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -79.96 -20.05 46.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.61 28.44 8.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.426 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.93 111.28 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.409 . . . . 0.0 111.149 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.7 p -101.46 -178.95 3.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.119 -171.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.28 -30.4 64.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -110.1 23.86 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -173.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t -53.74 132.13 40.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.842 -175.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -111.36 117.78 34.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.48 HD11 HG22 ' A' ' 10' ' ' VAL . 41.1 pt -121.32 142.52 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.036 -178.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.7 t -110.77 129.83 65.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -119.92 129.98 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -170.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 178.847 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.879 0.371 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -104.9 144.41 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 172.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.3 pt -137.4 154.85 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -113.76 142.85 45.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 170.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.54 135.41 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.5 m -86.55 118.43 25.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.527 HG22 HD11 ' A' ' 72' ' ' ILE . 48.2 t -98.04 114.8 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -177.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.26 115.63 30.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -106.26 157.87 33.9 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.678 0.752 . . . . 0.0 110.86 162.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.67 -24.72 78.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.257 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.3 p -97.33 -29.3 13.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.796 -174.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -165.02 162.67 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -130.78 150.03 52.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -161.57 165.0 29.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.3 p -109.17 150.22 28.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.225 -177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -128.64 151.93 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.068 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -107.08 122.22 46.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.86 169.69 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -90.99 145.7 24.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.28 -34.89 79.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -88.27 -5.41 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -173.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -80.08 158.92 26.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 79.9 p -85.65 172.55 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -65.8 -21.48 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 -175.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -64.24 -32.44 74.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.752 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 m -71.17 -37.33 72.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 173.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD21 HD13 ' A' ' 72' ' ' ILE . 54.6 tp -62.86 -39.24 93.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 172.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -68.4 -36.07 78.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -58.19 -46.05 86.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.83 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.42 -41.27 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.61 -40.63 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 173.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -68.17 -35.35 77.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.7 mt -63.86 -43.09 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.3 t -73.6 -39.17 53.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -94.28 -177.34 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -122.93 22.59 9.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.9 m -112.92 129.92 24.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.734 . . . . 0.0 111.049 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -52.5 143.08 46.51 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.629 2.219 . . . . 0.0 112.346 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.1 -35.86 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.42 -20.97 66.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -100.3 -32.46 10.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -70.49 132.73 45.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -104.85 133.11 50.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.6 tp -118.05 111.07 18.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -173.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -114.6 139.36 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' O ' ' C ' ' A' ' 50' ' ' SER . 28.4 t80 -115.82 135.68 53.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 174.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.2 t -27.7 103.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 174.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.99 -83.47 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.568 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.4 mt -96.01 131.6 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 111.04 -173.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -74.86 136.25 41.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.4 mt -90.21 66.75 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.917 -171.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.71 -18.32 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -166.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -89.32 113.2 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -173.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.66 -31.48 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -174.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -94.8 -9.02 35.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.031 -170.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -83.51 132.3 34.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.854 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.6 m-80 -79.91 157.64 26.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -171.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.82 -40.86 89.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.991 175.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -61.22 -41.49 96.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.46 -29.99 70.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.24 -19.52 50.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.83 28.2 19.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -177.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mm -81.9 121.29 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.971 0.415 . . . . 0.0 111.122 -178.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.6 p -109.86 -170.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 -173.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -78.58 -11.55 59.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -116.21 -1.67 12.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.3 m -63.81 134.68 55.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.785 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -110.13 129.29 55.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.838 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.527 HD11 HG22 ' A' ' 10' ' ' VAL . 42.3 pt -117.37 143.49 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.083 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -108.25 125.89 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -120.07 134.37 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -169.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -177.696 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.824 0.345 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.9 149.3 28.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.841 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.7 pt -135.89 149.85 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -98.93 142.62 30.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -125.07 128.9 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.7 m -95.06 113.97 25.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -100.07 116.46 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -174.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -100.04 124.73 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -106.81 164.48 14.75 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.583 0.706 . . . . 0.0 110.912 172.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.08 -38.75 80.94 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 -175.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -120.17 -9.01 9.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -170.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -151.41 165.04 35.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -171.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -131.43 155.16 47.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -159.04 142.84 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p -107.93 147.98 30.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.187 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.59 162.39 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.088 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -117.2 126.37 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.52 168.47 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -91.75 144.16 25.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -65.35 -32.99 74.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -176.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.0 p -89.83 -6.74 55.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.94 158.13 26.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 67.4 p -90.1 169.96 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 m -65.82 -20.1 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.7 p -62.48 -29.47 70.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.5 m -74.13 -39.36 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.94 -46.86 85.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -69.59 -34.64 74.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.69 -45.12 95.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -67.48 -39.68 85.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.94 -38.02 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 172.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -67.08 -39.18 86.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.78 -40.07 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.2 t -70.73 -38.64 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.077 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -95.03 -175.18 3.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -119.54 18.34 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 174.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 96.7 m -100.97 127.56 31.78 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.536 0.684 . . . . 0.0 111.136 -177.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 74.7 Cg_exo -53.75 140.7 66.68 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.68 -39.78 82.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.15 -21.4 66.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -175.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -101.51 -33.91 9.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -70.13 134.27 47.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -106.74 138.78 42.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HG ' HD12 ' A' ' 54' ' ' LEU . 32.7 tp -120.46 118.11 29.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -169.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -122.68 136.3 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -170.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.583 ' O ' ' C ' ' A' ' 50' ' ' SER . 3.8 t80 -110.56 118.51 36.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 176.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.583 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.7 t -22.04 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.1 -63.77 0.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.3 pt -115.96 148.75 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.353 . . . . 0.0 111.073 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -83.27 141.26 31.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 176.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.442 HD12 ' HG ' ' A' ' 47' ' ' LEU . 85.5 mt -88.95 66.15 7.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.973 -175.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.23 -21.45 25.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -165.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -96.19 111.07 23.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -172.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -31.76 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 -173.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.71 -5.88 50.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -169.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -83.05 132.95 35.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.0 m-80 -80.1 155.8 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -169.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.28 -42.38 77.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -62.69 -39.63 94.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.83 -29.28 69.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -74.86 -19.99 59.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.17 25.77 32.96 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 -172.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -84.67 124.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 111.133 -177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.402 ' H ' ' HB2' ' A' ' 70' ' ' SER . 40.7 p -114.02 -168.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -170.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -77.55 -11.97 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -110.98 11.07 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.402 ' HB2' ' H ' ' A' ' 67' ' ' THR . 30.6 t -64.62 135.41 55.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -172.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -102.61 122.13 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 169.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.0 mm -114.57 124.8 71.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.5 t -99.98 129.09 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 -173.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -108.44 128.23 64.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 177.277 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.844 0.355 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.58 143.03 35.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.4 pt -136.97 152.78 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.103 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -113.64 141.91 46.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 171.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.38 135.23 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.0 m -87.16 118.47 26.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.54 HG22 HD11 ' A' ' 72' ' ' ILE . 57.3 t -96.49 115.33 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -177.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.1 mttt -105.1 115.62 30.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -177.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -106.28 157.75 34.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.736 . . . . 0.0 110.828 160.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -60.92 -24.14 78.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.0 p -98.02 -29.72 13.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -165.22 161.96 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.451 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 86.3 mt-30 -130.59 152.21 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 176.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -161.07 164.52 30.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 176.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m -109.49 142.3 40.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.174 -174.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.7 m -124.33 151.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.102 177.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -108.2 123.56 48.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.4 169.37 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 8.8 t70 -95.84 148.44 22.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 178.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.42 -33.55 76.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.6 p -84.32 -5.04 59.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -174.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG3' ' HB3' ' A' ' 22' ' ' ASP . 94.6 mt-10 -84.11 158.26 21.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 30.0 p -85.79 177.42 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 174.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.05 -18.08 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.076 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -55.3 -44.3 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.7 p -71.0 -33.59 70.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.403 HD21 HD13 ' A' ' 72' ' ' ILE . 56.1 tp -64.8 -40.07 94.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.964 174.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.05 -37.55 81.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -57.31 -46.77 82.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -64.66 -41.43 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.03 -39.92 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 173.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -66.23 -35.82 81.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.31 -42.7 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.112 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.9 t -75.06 -39.97 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -92.87 -179.99 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -173.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -115.34 18.66 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.0 m -112.15 129.8 23.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.564 0.697 . . . . 0.0 111.134 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -53.47 144.13 52.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.1 -37.03 76.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.96 -20.71 66.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -100.44 -36.58 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -65.93 132.49 48.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -105.18 138.99 40.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.4 tp -126.73 111.54 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -167.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -113.35 139.1 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.5 ' O ' ' C ' ' A' ' 50' ' ' SER . 23.9 t80 -116.63 135.13 54.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 175.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.5 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.6 t -26.14 102.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.851 175.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.85 -80.0 0.55 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.8 mt -97.25 131.79 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.839 0.352 . . . . 0.0 111.106 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -74.81 138.26 42.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.7 mt -91.54 66.22 5.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -170.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.69 -25.25 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -168.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -91.68 113.19 25.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.55 -30.01 68.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.802 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -96.03 -8.94 32.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -170.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -79.97 133.18 36.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.3 m-80 -76.07 155.5 34.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -169.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.8 -40.53 80.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -62.08 -40.8 97.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 177.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.98 -30.53 71.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -80.02 -18.98 48.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.02 27.52 13.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.511 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -80.98 119.09 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.953 0.406 . . . . 0.0 111.099 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.0 p -112.27 -169.9 1.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.237 -174.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.15 -6.02 53.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -113.93 13.41 18.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.5 t -53.24 126.25 20.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.869 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -109.84 114.78 28.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.828 173.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.54 HD11 HG22 ' A' ' 10' ' ' VAL . 44.3 pt -119.19 142.39 34.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.2 t -107.96 126.79 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 175.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.7 t -119.84 134.28 63.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.12 -169.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -178.768 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -93.64 149.91 20.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.824 -175.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 pt -137.47 158.54 34.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 173.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -103.97 140.85 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 171.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -125.79 132.61 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.073 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -96.36 114.48 26.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.423 HG12 ' CE1' ' A' ' 12' ' ' PHE . 47.0 t -112.01 121.22 64.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -111.85 123.19 49.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 -169.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.613 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 1.2 m-85 -108.77 163.55 16.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.952 171.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.613 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 41.6 Cg_endo -63.78 -27.49 67.93 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.422 176.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 98.8 p -97.3 -26.39 14.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -175.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -167.25 151.8 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.957 -172.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -127.64 149.39 50.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 175.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -164.95 169.18 16.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -112.57 153.07 28.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.4 m -130.17 159.64 42.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -107.87 118.44 36.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 177.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 m -136.06 174.13 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 -174.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -104.57 138.45 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 176.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.79 -23.58 64.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -176.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.7 p -92.91 -8.71 42.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -79.14 156.26 28.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 173.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 60.9 p -77.73 163.16 26.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 54' ' ' LEU . 9.9 p -63.57 -21.82 29.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -177.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p -66.79 -27.43 67.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.9 m -68.73 -38.8 80.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.3 tp -62.68 -40.98 98.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 172.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.59 -36.76 85.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.47 -42.89 99.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 175.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.4 -41.84 97.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.0 mt -62.69 -39.97 86.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -67.17 -34.23 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -69.73 -45.9 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.95 -45.66 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -98.38 143.8 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -85.21 63.06 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -152.16 140.0 13.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 111.185 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.08 147.47 73.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.85 -34.03 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.07 -26.26 67.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -89.19 -37.27 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.461 ' SD ' ' HB2' ' A' ' 47' ' ' LEU . 19.3 tmm? -71.75 128.89 37.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 177.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -105.42 122.33 45.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.461 ' HB2' ' SD ' ' A' ' 45' ' ' MET . 41.6 tp -118.13 119.46 34.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -172.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -138.28 148.91 45.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -126.11 137.48 53.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -173.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.3 t -38.84 129.75 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.38 -96.85 2.26 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.441 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.3 mt -94.24 128.49 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.117 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -72.61 134.86 45.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 177.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.444 ' HB3' HG21 ' A' ' 27' ' ' VAL . 62.2 mt -85.9 61.87 7.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -172.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.64 -13.6 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -173.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -101.87 110.98 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.35 -29.99 71.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -173.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -87.29 -7.36 57.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -165.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -82.02 145.96 29.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.575 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 75.2 m-80 -84.45 156.04 21.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.86 -43.54 98.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.93 -35.18 79.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 173.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -64.04 -32.36 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -77.97 -16.2 58.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.93 24.36 45.44 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.553 -174.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 92.6 mt -82.02 126.19 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.077 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.0 p -109.04 -177.57 3.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -171.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -72.71 -12.89 61.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -111.65 -3.72 14.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.6 m -68.8 140.04 55.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.54 129.9 55.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 68.6 mt -117.63 131.28 70.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -177.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.37 136.21 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -166.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.0 t -112.2 136.58 47.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.179 -176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.1 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 171.69 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -97.21 156.82 16.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.7 mt -130.11 141.02 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 172.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -95.05 136.73 35.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.3 t -123.17 131.75 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -94.92 119.93 34.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.063 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -102.09 114.58 41.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -109.48 115.98 30.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -169.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -105.43 159.82 28.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.669 0.747 . . . . 0.0 110.846 167.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -63.08 -25.1 73.29 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.754 2.303 . . . . 0.0 112.311 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -117.23 -12.38 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -171.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -157.03 165.69 35.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -151.55 141.48 22.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -157.35 163.66 38.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.8 p -114.38 150.81 34.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.16 160.21 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -112.71 126.72 55.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.47 166.84 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.497 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.8 t70 -94.33 147.76 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 172.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -68.08 -26.49 65.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -176.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.4 p -91.58 -7.13 51.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -173.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.497 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 65.9 mm-40 -79.98 154.55 28.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 177.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 81.0 p -83.53 165.02 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.072 -178.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.76 -23.57 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -61.01 -38.58 86.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 175.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -65.07 -38.31 90.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.9 tp -62.27 -43.32 99.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 175.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.6 -39.81 92.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.778 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.95 -45.93 90.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.863 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -68.82 -34.41 75.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.18 -40.01 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.023 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.579 ' O ' ' HD2' ' A' ' 35' ' ' HIS . 11.1 t-160 -64.16 -36.14 83.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.8 -39.18 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.13 -39.28 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -90.1 -179.52 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -119.82 39.42 3.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 176.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.3 t -134.93 140.06 33.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 111.2 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.58 145.34 75.94 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.0 pt -66.39 -22.99 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.107 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.84 -25.85 63.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -102.02 -36.33 8.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.7 ttp -64.21 135.23 56.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -106.82 135.9 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.8 tp -117.06 119.43 35.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -122.1 135.75 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.016 -172.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' SER . 57.7 m-85 -102.55 126.68 49.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 171.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' TYR . 40.5 t -33.88 102.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 173.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.19 -60.35 0.33 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' TYR . 93.2 mt -115.69 134.45 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.846 0.355 . . . . 0.0 111.108 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -91.23 111.88 23.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.7 tp -83.66 115.66 22.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.67 6.13 21.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -96.9 106.18 18.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.93 -27.31 68.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -176.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -91.04 -2.68 57.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -170.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -69.99 127.34 32.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 68.7 m-80 -78.34 149.63 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.89 -43.47 83.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -173.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -63.65 -40.36 96.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.52 -30.69 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -77.94 -24.77 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.43 39.28 6.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 169.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.3 pt -83.26 151.5 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.897 0.379 . . . . 0.0 111.05 173.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.4 p -116.54 -179.97 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -175.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.72 -28.03 65.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.779 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -106.18 19.71 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.6 t -61.21 128.38 36.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -107.08 116.57 32.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 173.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.7 mt -120.73 131.3 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -175.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -100.88 129.25 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.206 -172.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.32 130.97 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 -177.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.935 0.398 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.65 156.11 18.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 175.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.7 pt -128.46 156.98 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -119.84 139.9 51.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.04 149.34 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -91.08 116.86 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.18 114.48 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -106.99 118.38 36.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -169.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 72.4 m-85 -106.05 156.95 35.88 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.644 0.735 . . . . 0.0 110.894 165.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.2 -24.99 76.64 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.4 p -99.2 -25.0 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 63.8 pttt -165.53 160.8 18.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -174.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -131.61 150.63 52.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -157.66 161.31 38.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -102.54 150.0 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.097 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.9 t -127.73 140.7 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.068 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -95.97 116.35 28.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.926 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.9 m -134.99 170.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 -175.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -108.21 145.22 34.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 173.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -65.05 -25.15 67.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.8 p -92.44 -7.04 48.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -79.09 155.83 28.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 74.8 p -84.77 165.01 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -177.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.45 -29.94 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 73.8 p -60.03 -30.04 68.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.82 -179.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 m -67.98 -40.1 83.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.76 -41.04 96.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 173.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.4 -44.78 89.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.948 177.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -57.1 -45.04 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -63.33 -39.25 94.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.97 -41.96 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -66.95 -29.14 68.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.65 -39.25 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.4 t -79.09 -44.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.074 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -126.33 110.7 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -76.26 70.11 2.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.955 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 99.8 m -131.78 134.27 25.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.541 0.686 . . . . 0.0 111.201 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 87.5 Cg_exo -54.06 138.9 71.24 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.602 2.202 . . . . 0.0 112.42 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.6 tp -67.22 -23.56 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.77 -23.1 67.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -100.68 -37.53 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.1 mtp -74.9 144.96 43.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -108.36 131.18 55.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.4 tp -114.61 106.32 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -115.19 137.31 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 30.4 t80 -114.04 139.31 49.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 174.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.0 t -28.22 102.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 175.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.87 -73.6 0.63 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.499 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.4 mt -100.18 131.32 47.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.793 0.33 . . . . 0.0 111.127 -175.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -74.79 135.96 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 172.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.41 69.7 10.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.968 -170.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.12 -35.05 71.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -173.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -95.11 109.73 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -170.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 28' ' ' SER . 92.0 m-20 -67.19 -29.99 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -176.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -92.53 -5.78 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 -171.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -78.48 140.33 38.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.805 174.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 97.8 m-20 -74.98 151.03 38.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -173.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.21 -40.2 93.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -64.28 -39.18 93.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.79 -30.82 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -78.38 -19.96 52.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 176.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.57 30.32 19.02 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -177.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 49' ' ' TYR . 96.5 mt -86.61 122.29 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 111.089 -175.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.6 p -104.54 176.48 5.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -88.33 -0.6 57.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -111.24 -29.87 7.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.1 p -74.09 167.66 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -116.9 145.49 43.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.797 -167.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 90.6 mt -116.7 125.18 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.7 t -106.98 124.97 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -174.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.9 t -122.37 129.53 75.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 -175.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -177.885 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.859 0.362 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.62 144.1 33.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.5 pt -136.47 153.52 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.195 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -102.93 149.22 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.7 t -126.58 132.08 70.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.9 m -88.84 119.01 28.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.174 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.51 HG22 HD11 ' A' ' 72' ' ' ILE . 42.1 t -100.14 114.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -174.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.77 115.46 30.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.989 -175.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.416 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 94.5 m-85 -105.54 159.62 28.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.738 . . . . 0.0 110.886 164.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 21.4 Cg_endo -60.99 -26.97 84.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.227 -178.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -121.37 -8.07 9.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.843 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -145.14 148.79 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -172.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -141.04 146.13 36.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -167.76 165.54 14.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.8 p -111.37 150.04 30.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.188 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.81 157.75 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -112.26 124.21 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.9 m -135.07 168.19 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.159 -177.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -90.4 144.93 25.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -65.18 -33.52 76.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.7 p -90.11 -6.44 55.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -172.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -79.93 158.77 26.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 66.9 p -86.47 169.42 12.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.04 -22.38 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.9 p -65.74 -30.58 71.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.2 m -72.28 -36.75 69.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.418 HD21 HD13 ' A' ' 72' ' ' ILE . 61.7 tp -61.82 -39.64 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.848 170.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.0 -36.85 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 176.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -58.49 -45.31 88.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.816 177.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -63.35 -39.62 95.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.64 -41.41 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -66.16 -36.12 82.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.92 -42.53 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.08 -40.06 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -94.96 -178.85 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -175.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -118.16 24.91 10.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.7 m -115.74 128.5 25.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.504 0.668 . . . . 0.0 111.108 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -53.08 143.4 50.87 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.743 2.295 . . . . 0.0 112.317 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.07 -35.14 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.93 -22.75 66.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -99.57 -37.68 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.28 133.54 51.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -107.03 138.32 43.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.53 118.52 28.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -171.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -123.35 141.79 51.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.926 175.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.456 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.9 t80 -115.77 136.73 52.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.6 t -30.83 103.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.844 175.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.38 -82.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.0 mt -95.13 129.88 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.338 . . . . 0.0 111.095 -176.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -74.12 133.12 42.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.6 mt -85.16 64.6 8.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.963 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.49 -24.85 22.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -169.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -90.63 111.32 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -172.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.33 -28.95 68.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -173.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -94.19 -8.46 39.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -172.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -82.28 135.06 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-20 -79.13 156.69 28.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -170.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.41 -41.48 93.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -60.96 -41.74 96.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.77 -30.7 71.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.74 -19.92 47.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.937 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.08 29.65 14.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.488 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.1 mm -81.86 123.3 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.391 . . . . 0.0 111.124 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.1 p -110.23 -177.38 3.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -174.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.88 -25.04 67.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -112.9 5.61 17.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -170.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 m -65.45 139.44 58.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.818 -176.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -112.31 129.82 56.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.51 HD11 HG22 ' A' ' 10' ' ' VAL . 46.2 pt -117.15 143.75 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.43 125.27 62.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -121.3 135.86 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -170.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.985 -178.237 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.767 0.318 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.73 64.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 175.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.6 t -125.26 135.37 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.071 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -96.1 -17.29 21.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -172.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -98.9 150.02 22.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 pt -136.36 151.75 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -105.36 143.49 33.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.92 134.87 65.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.3 m -91.87 116.9 29.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.9 t -104.8 116.13 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -104.93 122.93 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -108.67 157.41 36.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.871 166.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -60.81 -25.62 81.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -103.89 -24.31 13.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -175.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -159.96 163.15 34.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -172.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -130.91 152.52 50.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -160.07 150.73 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.1 p -111.59 147.9 34.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -130.0 158.87 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -112.05 123.38 50.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.11 171.83 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.9 t70 -98.99 144.04 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 176.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -67.71 -26.81 66.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.1 p -88.29 -9.01 54.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -175.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 67.7 mm-40 -80.03 155.68 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 175.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 78.5 p -83.39 164.98 19.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.184 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.38 -23.53 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.1 p -65.0 -29.86 70.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -71.44 -36.25 71.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.8 tp -62.39 -40.81 97.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.953 170.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.91 -34.56 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -58.35 -44.64 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -64.44 -40.79 96.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.3 -40.09 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -66.14 -36.72 83.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.99 -40.36 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.07 -38.87 56.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -96.59 -178.21 4.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -174.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -117.03 22.99 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.2 m -116.3 131.95 23.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 111.141 -176.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.12 145.2 93.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.34 -35.45 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.155 -175.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.6 -20.82 65.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.0 -38.19 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.842 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 73.3 mtm -60.06 136.52 58.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -109.99 143.88 39.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 175.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 tt -127.19 122.87 35.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.987 -172.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -119.27 131.42 55.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' O ' ' C ' ' A' ' 50' ' ' SER . 43.1 t80 -103.49 135.53 44.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.949 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.491 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.1 t -28.54 103.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 175.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.53 -73.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 174.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.4 mt -104.41 133.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 111.129 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -90.88 112.91 24.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.8 tp -81.79 111.47 18.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.97 1.9 40.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -96.4 108.6 21.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.25 -29.7 70.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -92.59 -2.27 56.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -169.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -70.21 129.17 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 176.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 70.8 m-80 -76.06 147.41 38.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.57 -46.95 80.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -63.19 -41.89 99.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.9 -25.25 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -89.8 -18.91 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.03 27.32 7.44 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.46 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mm -84.73 122.01 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 0.0 111.058 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.6 p -113.77 -168.76 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -78.62 -4.03 46.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -114.15 10.47 17.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -55.99 128.5 35.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 -174.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -109.16 111.23 22.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.41 127.02 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -99.17 125.26 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.0 t -117.35 131.69 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.036 -171.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -111.54 137.89 48.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.3 mt -104.5 132.77 50.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -95.18 153.63 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.8 t -63.02 121.4 13.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.7 pp -135.01 -178.78 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.085 -176.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -117.07 104.05 10.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -111.52 39.09 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.95 149.86 47.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 54.92 38.94 31.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 177.647 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.769 0.319 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.06 108.73 19.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.4 t -126.3 106.26 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 64.71 24.11 12.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.51 143.89 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.4 pt -136.6 151.9 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -101.89 146.32 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.0 t -125.87 131.85 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 100.0 m -89.28 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.519 HG22 HD11 ' A' ' 72' ' ' ILE . 44.8 t -97.74 114.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -177.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.9 mttt -104.95 118.77 37.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -175.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.29 163.25 17.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.591 0.71 . . . . 0.0 110.839 165.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -53.64 -35.57 78.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.632 2.222 . . . . 0.0 112.271 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p -122.09 -5.66 8.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -168.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -157.9 162.0 38.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -172.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 83.8 mt-30 -142.04 150.6 41.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -139.34 156.5 46.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.4 m -106.38 136.5 46.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.227 172.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.9 m -128.52 158.04 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.08 177.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -118.44 127.42 53.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.49 171.01 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 -177.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -94.49 144.54 25.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -65.93 -34.47 78.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -88.97 -6.74 57.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.038 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -78.65 156.93 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.941 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 75.6 p -86.01 171.1 11.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.12 -30.79 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -58.83 -29.56 66.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -72.0 -39.76 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 173.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.07 -47.42 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -69.24 -35.37 76.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.915 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.35 -44.28 88.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.812 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -69.89 -37.6 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.58 -37.58 78.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 171.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -66.38 -38.47 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.76 -39.83 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 176.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.79 -40.28 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -97.58 -178.13 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -175.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -115.84 23.02 12.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.6 m -109.58 128.76 24.84 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.619 0.723 . . . . 0.0 111.074 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.41 143.4 54.74 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.763 2.309 . . . . 0.0 112.287 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.5 mt -59.06 -37.7 69.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.45 -20.93 66.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -100.96 -34.84 9.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -69.91 133.39 47.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -106.51 134.41 49.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.0 tp -119.69 114.99 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -173.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -116.55 141.5 48.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.501 ' O ' ' C ' ' A' ' 50' ' ' SER . 18.4 t80 -116.9 134.08 55.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.3 t -24.79 102.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 172.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.35 -79.6 0.59 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.2 mt -98.24 131.43 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.189 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -76.55 138.23 40.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.9 mt -89.47 65.38 7.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -170.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.63 -20.31 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -169.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -92.19 114.3 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.81 -35.87 82.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.813 -175.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -95.69 -8.63 34.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -166.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -79.34 134.64 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.858 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 71.8 m-80 -77.92 154.18 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -170.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.09 -41.93 84.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.02 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -58.88 -42.6 89.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.99 -29.72 69.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -176.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -78.69 -19.92 51.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.52 28.33 13.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -175.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -80.1 111.92 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 111.145 -178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.1 p -102.64 -177.99 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -172.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.11 -17.09 64.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -112.19 18.62 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.9 t -52.09 130.16 29.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -111.72 114.47 27.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 172.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.519 HD11 HG22 ' A' ' 10' ' ' VAL . 43.2 pt -120.14 143.65 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 -177.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.6 t -109.04 129.2 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.3 t -120.33 130.58 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -172.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -112.44 135.77 52.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.8 mt -104.7 132.89 50.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 -173.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.91 70.9 1.35 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.7 p -159.33 161.54 35.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 171.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.5 mt -114.85 -47.61 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.97 159.05 33.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -115.77 161.46 18.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.804 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.09 148.59 22.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.31 -63.81 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 177.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 176.337 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.801 0.334 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.68 111.83 20.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.4 t -129.31 107.96 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.054 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 64.96 23.71 12.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -176.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -105.02 139.13 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 pt -137.12 154.11 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -112.03 130.69 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 170.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.9 t -109.64 134.5 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.096 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.1 m -86.09 118.71 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.517 HG22 HD11 ' A' ' 72' ' ' ILE . 48.1 t -97.45 114.92 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -178.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -108.46 115.58 30.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -104.61 163.4 17.31 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 165.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.84 -33.51 81.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.749 2.3 . . . . 0.0 112.303 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -125.62 -6.1 6.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -172.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -140.89 147.44 38.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -172.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -140.63 146.16 37.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 176.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -168.01 166.04 13.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.9 p -111.11 149.18 31.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.253 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.1 156.08 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.094 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -109.21 123.54 49.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -176.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.37 168.09 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.165 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.416 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 8.8 t70 -98.84 148.79 23.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -64.49 -31.15 72.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -86.59 -5.26 59.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.065 -174.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HG3' ' HB3' ' A' ' 22' ' ' ASP . 95.5 mt-10 -84.75 157.93 20.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.979 0.419 . . . . 0.0 110.846 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 29.5 p -85.66 176.06 8.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 173.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.9 m -65.33 -15.15 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 176.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -55.23 -45.31 75.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.2 p -71.38 -33.98 70.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD21 HD13 ' A' ' 72' ' ' ILE . 58.7 tp -64.22 -41.57 96.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -71.53 -34.09 69.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -57.31 -46.49 83.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -63.39 -42.13 98.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.92 -40.03 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -67.05 -36.03 81.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.96 -43.69 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.051 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.9 t -73.43 -39.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -94.89 -178.97 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.975 -175.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -116.67 21.23 13.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.8 m -112.93 129.5 24.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.562 0.696 . . . . 0.0 111.058 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.23 144.29 48.86 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.38 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.77 -36.62 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.95 -21.06 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.09 -37.7 8.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.7 tmm? -65.59 133.59 51.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -106.03 136.95 44.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.3 tp -125.72 112.8 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -170.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -114.65 138.9 50.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.502 ' O ' ' C ' ' A' ' 50' ' ' SER . 36.8 t80 -115.64 136.2 53.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 174.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.7 t -25.94 102.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 173.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.89 -76.68 0.53 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.4 mt -96.04 129.27 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.32 134.59 42.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 171.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.4 mt -90.09 67.58 7.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -169.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.7 -19.38 19.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -166.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -94.47 109.62 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.65 -32.33 73.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.761 -169.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -93.45 -7.17 45.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -170.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -76.61 133.34 39.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-80 -77.28 153.53 33.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -170.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.62 -38.77 75.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -61.6 -39.6 91.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 176.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -67.98 -29.97 69.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -75.36 -19.93 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.91 29.77 16.94 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.445 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.4 mm -79.44 116.75 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 0.0 111.131 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -104.59 -179.44 3.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.155 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.91 -30.72 66.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -109.71 16.35 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -59.5 132.43 53.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -110.94 128.27 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.517 HD11 HG22 ' A' ' 10' ' ' VAL . 38.0 pt -118.65 143.48 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 -177.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -108.41 126.16 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.1 t -122.11 135.08 63.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -168.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -117.27 140.38 49.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.933 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.5 mt -101.57 134.74 44.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -124.25 69.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.0 p -163.37 163.34 25.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 174.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 94.4 mt -115.59 -49.73 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.04 154.69 41.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -111.41 155.75 22.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.91 151.16 30.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.93 -62.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.4 t0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 173.578 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.036 0 CA-C-O 120.809 0.338 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.12 174.68 11.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.31 -19.26 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -90.07 77.35 6.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.796 -171.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -95.48 141.19 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.82 -171.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 pt -136.55 150.82 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -95.88 134.75 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.767 175.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.2 t -115.21 129.3 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 172.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.7 m -90.35 115.75 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.141 171.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.5 t -100.17 117.09 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 -176.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -104.11 121.4 43.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -173.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.0 158.8 31.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 163.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -58.17 -31.95 94.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -102.86 -26.97 12.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -144.55 160.57 40.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -168.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -134.2 148.1 50.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -140.0 154.52 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.3 m -103.17 133.63 47.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.186 168.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.9 t -127.5 142.72 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.158 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -108.14 118.61 37.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 m -137.24 177.19 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 -172.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -115.39 137.21 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.885 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -66.96 -20.13 65.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -172.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.3 p -89.98 -11.57 41.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -85.79 158.63 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 173.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 60.6 p -84.95 172.69 11.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.22 -22.14 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.4 p -64.77 -31.28 72.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -66.6 -42.07 87.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.762 172.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.63 -39.64 92.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 174.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.71 -42.2 97.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.31 -45.01 88.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.34 -40.44 85.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.998 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.48 -38.46 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -68.19 -36.27 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.6 mt -67.86 -45.0 84.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.7 t -74.22 -50.61 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 -174.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -97.55 145.53 26.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -84.85 74.19 10.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 8.8 t -155.47 136.61 9.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 111.154 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 51.0 Cg_exo -58.24 143.48 97.06 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.33 -36.26 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.78 -24.98 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -91.37 -27.11 18.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -175.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -89.95 133.55 34.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -110.06 128.46 55.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.5 tp -109.22 114.79 28.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -135.77 159.66 40.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -139.91 134.78 32.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -166.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -38.47 130.03 1.35 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.868 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.16 -98.18 2.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.8 mt -93.52 126.52 45.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 111.134 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.32 138.8 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.2 mt -85.69 60.05 6.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -166.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.84 -16.9 34.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.005 -170.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -97.26 105.21 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.83 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -65.12 -26.43 68.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.24 -7.37 48.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -171.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -83.42 136.88 34.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.847 176.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 76.0 m-20 -81.13 155.58 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.73 -41.43 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -62.93 -38.51 91.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.77 -23.96 63.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -78.55 -17.27 56.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.77 22.23 56.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.6 mt -83.68 130.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.156 -174.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.2 p -108.0 178.67 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.174 -171.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -77.4 -3.37 39.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.818 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -112.55 -7.45 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.3 m -66.35 146.44 54.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -176.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -117.59 129.8 56.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 174.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.1 mt -117.38 132.75 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.6 t -110.03 139.2 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 -165.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -110.68 131.9 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -104.23 131.89 51.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.8 mt -101.81 130.17 48.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 -169.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -53.2 128.73 28.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.85 166.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 93.6 p -83.94 164.98 19.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -167.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 79' ' ' ILE . 21.4 mt 57.55 44.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -100.38 -170.03 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -144.0 129.95 19.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -158.39 162.0 37.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -97.89 159.61 14.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.8 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.8 -178.114 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.92 178.53 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.73 -30.07 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.16 79.16 9.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -99.29 153.88 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 pt -140.07 150.19 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 171.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -97.48 126.14 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.797 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.8 t -114.15 124.93 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.1 m -89.96 116.1 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.3 t -96.92 117.68 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -107.88 121.85 45.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -113.77 156.49 43.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.708 . . . . 0.0 110.974 163.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -61.26 -24.16 78.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.411 173.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 99.2 p -91.79 -31.2 15.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -165.55 157.43 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.964 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -129.3 149.84 50.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 176.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -159.27 163.02 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -178.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -120.2 141.39 49.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.0 m -126.97 160.13 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.071 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -107.63 119.34 39.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.93 167.97 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -104.37 128.75 52.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -69.19 -22.33 63.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -171.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.6 p -91.05 -8.48 48.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -85.74 163.61 18.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 170.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 80.7 p -79.69 165.96 22.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 54' ' ' LEU . 8.9 p -64.89 -19.89 26.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -62.71 -26.26 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -176.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 m -66.2 -40.94 90.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.33 -39.93 94.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 174.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.16 -40.01 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -58.35 -45.54 87.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 173.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.41 -40.76 95.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.82 -40.8 90.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -66.07 -34.59 78.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.21 -47.1 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.3 t -81.28 -40.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 5.8 tp10 -100.01 145.28 28.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -176.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -88.24 71.01 9.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.8 m -155.81 125.49 3.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.182 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -52.09 141.54 47.47 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.426 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.7 mt -60.86 -37.75 77.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.966 0.412 . . . . 0.0 111.127 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -68.43 -19.58 64.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -102.15 -33.9 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -63.82 130.08 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -101.27 126.13 47.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.411 ' HG ' ' HB2' ' A' ' 54' ' ' LEU . 67.3 tp -120.31 116.54 25.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -174.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -134.27 154.19 51.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -143.47 136.83 28.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -173.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.2 t -38.3 128.63 1.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 174.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.23 -99.26 2.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.505 -172.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.3 mt -94.03 127.31 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 0.0 111.153 -177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.56 135.6 50.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.416 ' HB3' HG21 ' A' ' 27' ' ' VAL . 46.7 mt -84.03 63.61 7.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -170.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.22 -8.05 15.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 -173.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -93.68 105.59 17.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -65.47 -26.74 68.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -91.93 -11.48 36.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -171.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -79.96 134.75 36.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.548 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 76.4 m-20 -79.91 156.28 27.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 -176.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 99.3 mt -58.18 -38.97 77.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -64.37 -39.32 93.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.57 -25.98 65.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -75.28 -21.61 58.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 174.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.52 24.89 44.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -87.19 130.97 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.346 . . . . 0.0 111.174 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.6 p -107.87 177.0 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 -171.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -76.33 -5.43 47.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.801 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -110.41 -8.2 14.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 m -63.39 130.13 43.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -108.44 127.0 53.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 174.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.76 124.86 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -173.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.3 t -94.9 128.9 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.1 t -116.34 135.51 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -108.16 135.82 48.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.837 -174.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.8 mt -103.05 131.91 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -174.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -68.43 134.99 51.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 169.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.0 p -79.73 169.15 18.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -170.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.719 HG22 ' O ' ' A' ' 79' ' ' ILE . 61.9 mt 44.02 45.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -85.05 -175.72 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -148.1 130.03 15.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.86 159.9 37.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -96.63 164.71 12.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.3 t0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.162 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.735 0.302 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.81 108.8 18.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.053 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 73.4 t -127.0 107.88 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 65.43 19.8 11.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.832 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -103.7 139.94 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.4 HD12 HG22 ' A' ' 66' ' ' ILE . 45.2 pt -136.96 155.3 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -108.13 144.78 35.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 170.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.6 t -123.13 134.32 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -88.44 119.7 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.514 HG22 HD11 ' A' ' 72' ' ' ILE . 46.3 t -100.58 115.85 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 -175.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 96.0 mttt -104.95 117.55 34.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -176.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -109.8 158.25 35.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 162.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.41 -26.33 76.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.227 . . . . 0.0 112.288 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.0 p -105.59 -20.02 13.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -174.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -158.12 160.21 37.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -172.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.407 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 82.6 mt-30 -139.81 150.0 44.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 172.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -164.31 166.56 20.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.5 p -111.12 150.02 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.158 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.6 m -128.54 155.75 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -109.38 121.35 45.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.25 170.41 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -100.28 141.07 33.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 176.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -66.25 -25.09 66.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -175.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.0 p -92.04 -7.62 48.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -79.29 157.6 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 67.3 p -83.74 167.48 17.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -174.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.19 -33.61 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 p -62.12 -29.09 70.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.6 m -71.29 -39.32 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.1 -40.43 97.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 173.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.09 -37.92 89.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.2 -43.61 92.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -62.31 -40.98 98.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.0 -40.23 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 172.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -66.58 -34.42 77.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.8 -42.65 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.069 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.3 t -76.05 -39.98 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -94.65 179.95 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -173.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -115.72 21.79 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -114.72 129.78 24.69 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -53.69 144.98 51.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 0.0 112.357 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.56 -36.85 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.53 -21.75 65.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.948 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -99.81 -37.68 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -64.99 134.31 53.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -106.28 138.6 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.6 tp -127.92 119.04 24.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -119.35 142.45 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' C ' ' A' ' 50' ' ' SER . 18.4 t80 -115.06 134.77 54.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.9 t -29.54 103.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.774 176.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.79 -84.57 0.73 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.3 mt -93.82 129.06 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 111.141 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.39 135.67 45.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.33 61.61 6.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.25 -36.43 77.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -171.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -85.45 113.26 21.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -171.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -64.75 -34.5 78.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -97.05 -6.93 34.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -166.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -74.37 141.54 45.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 98.4 m-20 -74.83 149.45 39.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -174.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 97.0 mt -60.3 -42.81 96.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -60.45 -37.61 81.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.779 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -67.33 -29.92 69.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -177.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -80.67 -19.96 44.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.53 27.17 8.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.462 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 6' ' ' ILE . 39.6 mm -79.9 116.54 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.975 0.417 . . . . 0.0 111.117 178.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.7 p -107.48 -177.36 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 -173.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.73 -15.9 63.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -110.47 16.84 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.1 t -55.38 133.87 49.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -121.7 118.09 28.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.514 HD11 HG22 ' A' ' 10' ' ' VAL . 47.3 pt -119.08 142.92 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -176.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.9 t -107.7 126.1 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.73 135.14 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 -168.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -117.39 141.55 48.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.1 mt -100.78 136.19 41.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -126.56 65.64 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.0 p -159.68 160.44 34.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 94.8 mt -108.5 -55.09 5.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -71.21 149.99 45.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.59 157.74 16.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.12 150.26 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.18 -62.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.5 t0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 173.684 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.726 0.298 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.34 110.84 22.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.072 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.9 t -125.47 108.62 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 65.04 25.09 12.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.83 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -105.01 143.44 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 174.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.409 HD12 HG22 ' A' ' 66' ' ' ILE . 42.6 pt -137.14 153.31 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -178.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -105.0 146.11 29.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 173.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.5 t -123.61 131.8 72.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.7 m -87.77 120.38 29.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 72' ' ' ILE . 44.6 t -99.81 113.87 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 -177.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -105.91 115.43 30.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -174.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -105.22 157.96 33.19 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.927 164.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -62.1 -24.93 76.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -107.46 -19.99 13.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -174.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -157.25 160.1 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.87 -172.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -138.93 148.9 44.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -162.62 165.13 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -111.2 150.28 29.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.199 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.82 158.46 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -111.95 124.65 52.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.01 170.73 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.9 t70 -94.78 146.61 24.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -65.13 -33.18 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.3 p -89.44 -7.68 54.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 -172.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 64.4 mm-40 -78.7 156.63 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.917 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 74.4 p -85.03 170.0 13.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.36 -19.84 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -62.32 -29.82 70.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.3 m -73.94 -37.56 64.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 173.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.6 tp -65.07 -46.33 81.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -69.09 -31.59 70.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.4 -43.62 83.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.874 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -62.83 -41.36 99.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.23 -40.96 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 175.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -66.51 -36.63 83.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.0 -43.2 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.3 t -72.83 -40.06 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -94.44 -179.9 5.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -175.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -115.8 20.96 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.4 m -110.7 129.33 24.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.532 0.682 . . . . 0.0 111.114 -176.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -53.28 142.87 55.39 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.774 2.316 . . . . 0.0 112.341 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.3 mt -58.78 -37.32 65.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.48 -21.73 66.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -99.91 -35.97 9.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -65.27 132.46 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -103.92 134.93 46.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.5 tp -124.48 117.91 25.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -170.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -123.23 141.63 51.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.462 ' O ' ' C ' ' A' ' 50' ' ' SER . 17.5 t80 -115.54 135.31 54.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.6 t -31.06 103.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.78 -81.63 0.58 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.519 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.8 mt -95.8 128.5 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.074 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.46 136.08 42.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.868 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.8 mt -85.02 61.91 7.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.02 -36.86 24.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 -167.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -91.8 125.82 36.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -169.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -70.07 -36.75 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -78.25 -12.45 60.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -170.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -80.02 140.02 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-80 -82.49 156.91 23.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -176.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.29 -41.62 84.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.024 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -61.64 -38.81 89.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.11 -29.1 69.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -80.74 -18.58 47.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.867 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.76 27.37 17.11 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -173.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.409 HG22 HD12 ' A' ' 6' ' ' ILE . 35.0 mm -79.24 116.87 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.922 0.392 . . . . 0.0 111.167 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.0 p -110.58 -179.14 3.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 -175.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.05 -23.73 62.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -108.41 16.8 22.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -175.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.4 t -55.95 135.45 52.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -120.51 116.95 26.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.883 174.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.49 HD11 HG22 ' A' ' 10' ' ' VAL . 46.9 pt -116.54 143.4 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.76 126.32 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.97 134.87 65.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -117.16 141.75 47.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.875 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.6 mt -102.19 134.93 44.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -124.77 70.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.4 p -163.19 162.14 25.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.913 175.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.5 mt -115.33 -48.56 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 175.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.62 152.14 45.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -108.93 156.11 20.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.11 151.6 30.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.094 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.0 -63.3 1.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 175.641 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.755 0.312 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.23 108.17 18.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.1 t -126.03 108.95 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 64.97 26.1 12.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -105.56 146.85 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 173.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 pt -137.31 154.42 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -112.09 140.35 46.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.0 t -116.85 134.73 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.5 m -86.1 118.08 25.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.521 HG22 HD11 ' A' ' 72' ' ' ILE . 52.3 t -96.66 114.99 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 97.8 mttt -105.91 114.46 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 95.0 m-85 -104.93 159.41 29.44 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.656 0.741 . . . . 0.0 110.894 161.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 27.4 Cg_endo -61.26 -24.96 79.86 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.725 2.284 . . . . 0.0 112.275 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.7 p -117.76 -13.06 10.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -173.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -151.0 151.64 32.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 82.2 mt-30 -138.92 149.51 44.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 171.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -164.94 164.97 20.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.7 m -110.63 141.1 44.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.22 -175.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.6 m -124.4 153.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -108.71 125.06 51.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -176.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.1 m -136.59 169.03 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.458 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 9.7 t70 -96.51 151.73 19.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 178.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -63.45 -35.22 79.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -86.58 -5.13 59.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 -172.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 55.2 mm-40 -82.59 157.99 23.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.917 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 66.0 p -87.86 172.26 9.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 m -66.22 -24.9 34.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -66.55 -29.43 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.8 m -71.43 -38.97 71.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 172.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.4 -40.35 96.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 171.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -66.82 -36.97 83.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.4 -43.56 92.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 175.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -61.89 -41.27 97.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.76 -40.26 87.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -65.89 -35.29 80.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.833 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.31 -42.48 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.09 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.7 t -74.98 -40.0 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -92.95 179.94 5.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -115.68 20.57 14.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.0 m -113.15 129.65 24.34 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.541 0.686 . . . . 0.0 111.109 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.53 144.9 49.67 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.633 2.222 . . . . 0.0 112.404 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 95.6 mt -59.77 -37.32 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.91 -20.81 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -99.98 -37.97 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.08 134.86 54.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -106.51 136.72 45.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.5 tp -124.74 115.3 20.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -171.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -114.17 137.63 51.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' SER . 34.6 t80 -115.0 136.27 53.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 175.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.1 t -23.7 102.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.807 173.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.11 -75.06 0.6 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.4 mt -98.95 131.03 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.123 -173.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -76.29 135.73 39.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 172.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 66.4 mt -93.7 70.24 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -170.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.61 -15.27 19.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -169.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -101.71 116.11 32.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -75.95 -29.36 58.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -174.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -78.13 -11.96 59.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -175.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -85.16 137.36 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 20.1 p30 -95.81 166.33 11.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -172.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.54 -37.16 75.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -174.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.1 -37.05 86.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.18 -28.0 68.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -89.35 -7.26 55.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.08 32.45 35.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -176.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.1 mm -76.77 111.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.962 0.411 . . . . 0.0 111.115 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.9 p -105.09 -178.47 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.206 -172.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.49 -26.04 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -110.37 22.94 14.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -173.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.7 t -53.99 129.8 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -176.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -113.4 116.3 29.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 174.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.521 HD11 HG22 ' A' ' 10' ' ' VAL . 40.0 pt -119.19 142.65 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.4 t -109.0 126.87 66.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.0 t -121.08 135.13 62.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -168.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -118.19 141.2 48.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.1 mt -101.88 135.82 42.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -125.54 67.87 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.6 p -162.45 160.14 25.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 174.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.0 mt -109.6 -53.28 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.79 158.34 30.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -116.0 167.05 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.36 154.7 30.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.051 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.86 -61.74 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 175.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 173.774 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.765 0.317 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.19 110.36 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.08 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 75.5 t -125.8 108.94 20.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 65.11 25.57 12.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -105.35 144.08 32.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 pt -136.55 154.4 32.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -103.93 149.5 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 172.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.18 130.01 73.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -87.53 120.06 28.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.519 HG22 HD11 ' A' ' 72' ' ' ILE . 42.4 t -99.8 114.57 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.164 -177.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.79 115.58 30.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -175.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -104.36 159.48 29.17 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 162.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -61.33 -25.3 80.09 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.666 2.244 . . . . 0.0 112.298 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.1 p -120.7 -11.33 9.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -144.53 149.69 36.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -172.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -140.01 146.31 38.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -165.0 164.82 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 173.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.2 p -113.02 149.98 32.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.164 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.73 158.29 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -112.29 124.15 51.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.2 m -137.04 170.74 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -92.75 146.56 23.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -65.36 -32.63 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -89.8 -5.21 57.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.157 -173.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -79.95 158.95 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.0 p -89.53 168.61 12.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.235 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -65.12 -19.99 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.4 p -61.96 -30.16 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.1 m -75.06 -37.4 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 172.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.88 -45.37 86.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -68.74 -31.57 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -58.53 -43.78 89.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 173.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -62.04 -41.35 98.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.59 -41.85 91.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -67.87 -35.66 78.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.08 -42.93 95.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.2 t -71.98 -40.55 67.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -95.04 -175.6 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -175.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.453 ' HB2' ' HB3' ' A' ' 82' ' ' ALA . 49.8 p30 -124.2 22.59 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -177.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.7 m -113.24 130.45 23.62 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.544 0.687 . . . . 0.0 111.143 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -54.09 143.76 61.09 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.65 -35.75 61.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.11 -21.82 66.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.12 -26.37 14.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.974 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -76.21 133.24 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -106.33 133.4 51.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.8 tp -119.82 110.62 16.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -170.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -116.07 138.88 50.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.475 ' O ' ' C ' ' A' ' 50' ' ' SER . 24.0 t80 -115.02 137.15 52.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 175.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 49' ' ' TYR . 46.9 t -28.79 103.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.814 175.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.24 -79.57 0.52 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.57 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.2 mt -96.79 131.02 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.1 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -74.34 134.41 42.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 173.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.0 mt -85.78 64.15 8.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -172.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.98 -29.68 19.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 -167.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -93.93 118.85 32.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -170.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -68.76 -35.62 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -174.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -78.24 -12.65 60.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -80.11 139.71 36.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -83.82 157.29 22.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.82 -41.14 86.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -61.36 -39.08 89.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.33 -27.73 67.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -79.98 -18.65 49.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.33 29.12 15.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.455 -173.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.9 mm -79.78 114.39 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 111.063 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.0 p -103.92 178.65 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.04 -27.04 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -110.09 19.3 19.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -175.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 88.6 p -56.21 145.46 26.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -126.26 118.35 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.519 HD11 HG22 ' A' ' 10' ' ' VAL . 45.3 pt -115.94 143.29 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.2 t -108.69 127.11 65.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.21 130.82 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -170.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -112.97 141.44 46.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.959 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.4 mt -105.45 134.98 47.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -120.93 71.48 0.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 170.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.0 p -152.76 148.23 26.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.902 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.0 mt -105.84 -56.06 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.15 157.19 26.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -113.48 174.97 5.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . . . -155.64 153.23 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.037 178.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.92 -64.08 0.99 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 177.251 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.769 0.318 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.81 117.12 24.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.053 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 72.3 t -132.07 109.7 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 64.98 23.56 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -175.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -103.41 134.9 46.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.3 pt -137.59 152.82 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 175.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -105.43 144.64 31.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 171.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.88 130.64 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.097 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.6 m -86.11 119.71 26.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.512 HG22 HD11 ' A' ' 72' ' ' ILE . 39.8 t -97.61 114.22 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -177.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -105.44 116.27 31.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -175.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.405 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 89.5 m-85 -106.28 160.06 27.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.663 0.744 . . . . 0.0 110.939 163.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 31.2 Cg_endo -62.49 -25.55 75.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.257 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p -115.74 -15.16 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.982 0.42 . . . . 0.0 110.821 -172.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -152.89 160.86 43.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.888 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -141.53 149.47 40.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 172.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -162.8 165.07 25.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -111.25 150.09 30.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -175.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.97 158.62 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 175.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -114.19 122.87 48.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.09 168.74 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -90.72 141.24 29.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 178.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -66.8 -33.83 76.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.7 p -88.8 -5.91 57.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 -174.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -83.62 156.41 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 81.1 p -82.21 169.84 16.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.196 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.1 m -66.68 -21.15 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.085 -176.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -61.55 -30.72 70.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -71.29 -41.02 70.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.38 -47.38 86.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -69.92 -34.75 73.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.64 -46.39 90.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.59 -38.59 84.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.77 -38.3 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 171.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -66.32 -37.5 85.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.64 -39.94 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.9 t -68.67 -40.79 82.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -94.38 -177.94 4.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -121.6 26.51 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -109.81 127.44 27.12 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 111.111 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -52.92 143.42 49.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.785 2.324 . . . . 0.0 112.358 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.72 -37.4 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.123 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.8 -21.04 66.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.03 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -99.94 -34.48 10.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 63.0 ttp -74.74 134.22 41.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -106.48 134.69 49.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.5 tp -115.12 117.93 31.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -121.47 140.63 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.481 ' O ' ' C ' ' A' ' 50' ' ' SER . 19.0 t80 -115.17 135.65 53.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.9 t -28.16 103.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.818 174.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.12 -76.92 0.52 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.569 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.5 mt -99.62 130.69 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.037 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -75.36 135.86 40.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.9 mt -85.31 66.62 9.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.944 -174.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.77 -23.46 18.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.144 -170.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -88.96 112.72 23.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.12 -30.23 70.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.39 -10.5 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -170.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -81.08 133.22 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.83 175.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.2 m-80 -79.55 156.97 27.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -171.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.23 -42.84 96.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.958 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -55.5 -45.24 77.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 172.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.08 -30.06 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -77.69 -19.38 55.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.02 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.8 29.05 13.97 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.42 -175.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.0 mm -83.19 116.93 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.966 0.412 . . . . 0.0 111.118 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.5 p -108.88 -177.27 3.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.42 -17.76 64.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -109.06 16.29 22.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.942 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.0 t -55.15 133.28 48.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -116.63 114.92 24.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 174.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.512 HD11 HG22 ' A' ' 10' ' ' VAL . 45.5 pt -119.36 143.42 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -177.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.0 t -109.56 130.11 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -121.56 134.07 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -172.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -113.43 136.64 52.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -175.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.1 mt -103.26 134.27 46.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -175.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -124.23 75.32 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 174.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.1 p -160.75 155.98 24.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 172.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.4 mt -108.73 -55.57 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -177.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.72 154.86 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -119.15 178.35 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -174.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.32 144.78 40.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.076 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -47.42 -49.45 25.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.793 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 178.801 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.772 0.32 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.65 107.35 18.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.064 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.4 t -124.83 106.7 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 64.78 26.66 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.812 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -105.61 144.89 31.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.3 pt -135.79 150.01 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 176.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -101.13 147.59 26.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.6 t -123.51 128.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -88.51 118.41 28.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.493 HG22 HD11 ' A' ' 72' ' ' ILE . 36.4 t -101.46 114.42 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.224 -174.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -108.73 112.63 25.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -174.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 50.9 m-85 -94.43 165.95 16.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 162.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.574 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 22.5 Cg_endo -62.23 -28.13 78.96 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.651 2.234 . . . . 0.0 112.274 -177.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.3 p -133.25 12.77 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -154.26 149.33 26.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -139.73 145.67 38.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 173.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -161.39 162.42 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 172.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.6 p -112.53 149.87 32.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.224 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -131.12 158.29 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 176.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -113.14 124.21 52.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.38 168.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -175.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -90.0 144.33 26.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -65.52 -32.92 74.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -90.05 -5.41 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -173.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -80.63 158.56 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 80.7 p -88.73 170.04 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.202 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.78 -21.93 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.9 p -65.12 -29.93 70.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.1 m -72.39 -37.99 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 172.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.74 -47.92 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -68.98 -32.91 72.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -174.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.79 -45.39 94.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.93 -38.28 85.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.02 -39.12 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 172.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -65.83 -36.79 84.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.71 -40.08 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.9 -39.9 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -94.85 -176.6 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -124.14 27.96 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.1 m -114.32 129.81 24.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.599 0.714 . . . . 0.0 111.054 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.54 141.35 63.07 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.33 -34.23 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.14 -22.98 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -97.95 -36.35 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.7 ttm -69.79 132.94 46.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -104.4 136.47 43.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.3 tp -121.16 118.14 28.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -171.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -127.26 143.3 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.462 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.6 t80 -115.14 136.57 52.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 175.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.1 t -30.71 103.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.67 -82.95 0.62 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.47 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.6 mt -94.69 131.18 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 111.095 -175.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -74.43 135.03 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.8 mt -84.71 62.76 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.977 -177.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.48 -22.71 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -170.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -92.71 112.06 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -175.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -64.85 -31.5 72.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -94.53 -7.91 39.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -169.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -81.44 134.12 35.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 72.5 m-80 -79.52 156.58 27.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -169.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.85 -41.37 91.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.43 -41.69 94.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.63 -30.27 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -77.67 -19.93 54.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.913 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.02 30.06 13.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -175.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.3 mm -81.71 114.26 22.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.956 0.408 . . . . 0.0 111.115 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -100.59 179.17 4.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.198 -172.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.34 -27.56 67.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -110.33 21.0 17.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -175.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 99.3 p -57.36 144.89 34.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -175.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -124.65 120.47 31.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 10' ' ' VAL . 40.0 pt -116.64 143.43 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -101.17 125.22 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.02 130.08 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.038 -175.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -103.53 137.18 41.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -169.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.6 tp -94.35 126.81 39.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.99 -175.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -124.57 70.51 1.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.8 p -169.26 159.4 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.891 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.4 mt -117.13 -45.88 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.15 153.93 20.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -119.5 175.57 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -176.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.7 147.52 34.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 175.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -49.75 -51.78 36.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 176.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.74 108.88 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.8 t -125.52 103.63 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 64.95 24.53 12.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -104.02 144.19 31.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 172.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.6 pt -136.48 151.08 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -102.52 146.18 28.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 173.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -124.64 131.03 73.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -87.07 119.31 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.527 HG22 HD11 ' A' ' 72' ' ' ILE . 38.4 t -99.82 112.94 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -176.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.7 mttt -105.14 118.28 36.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -174.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -104.55 163.79 16.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.737 0.779 . . . . 0.0 110.843 166.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -53.34 -36.42 78.58 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p -122.79 -4.48 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -168.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -157.7 162.52 38.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -172.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 83.7 mt-30 -142.22 149.92 40.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.789 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -139.08 156.25 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.1 m -106.04 137.1 44.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.208 172.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.9 m -127.95 158.09 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.135 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -118.82 128.07 54.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.3 m -136.09 170.74 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.027 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.84 144.82 25.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -64.97 -32.72 74.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -87.61 -5.37 58.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -173.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -81.9 159.15 23.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.961 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 78.4 p -89.44 171.21 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.99 -22.5 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.3 p -64.63 -30.01 71.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -71.99 -38.97 69.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 172.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.5 -47.31 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -70.08 -34.22 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.45 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.792 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -67.54 -38.5 84.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.69 -38.05 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 172.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -66.24 -37.98 86.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.34 -39.57 85.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.54 -39.71 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -94.97 -173.37 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -126.79 24.99 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.1 m -111.78 129.39 24.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.61 0.719 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -52.6 142.5 49.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.777 2.318 . . . . 0.0 112.329 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.75 -37.3 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.6 -21.17 66.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -99.82 -37.06 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.3 ttp -68.32 134.29 50.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -105.5 137.54 43.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.6 tp -122.65 119.01 29.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -173.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -123.7 141.79 51.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.4 t80 -115.22 136.16 53.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 175.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.8 t -27.1 103.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.812 174.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.7 -77.61 0.55 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.8 mt -99.41 132.07 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.741 0.305 . . . . 0.0 111.153 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -74.25 136.51 42.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 178.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.6 mt -85.59 64.16 8.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.13 -26.95 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -170.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -92.75 116.74 29.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -172.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -68.62 -31.41 70.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -91.41 -9.28 45.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -172.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -86.67 124.34 32.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.887 171.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 18.4 p30 -89.31 165.78 14.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -165.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 94.4 mt -57.59 -38.12 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -172.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -65.13 -39.01 92.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.97 -31.69 72.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -79.49 -17.93 53.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.953 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.34 31.12 10.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.439 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.414 ' HB ' ' HB3' ' A' ' 61' ' ' LEU . 47.2 mm -81.41 113.41 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.99 0.424 . . . . 0.0 111.143 -178.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.5 p -107.51 -177.36 3.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.146 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.81 -18.52 64.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -110.1 19.21 19.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 t -54.36 133.38 45.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -175.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -117.71 115.44 25.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 174.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.527 HD11 HG22 ' A' ' 10' ' ' VAL . 46.1 pt -119.59 143.88 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.4 t -108.13 129.15 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.165 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.44 129.82 75.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -110.98 135.36 51.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.1 mt -102.0 131.04 48.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -174.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -121.14 73.74 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.2 p -157.19 153.03 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 171.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.6 mt -106.15 -57.11 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.84 157.0 19.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -114.71 161.1 18.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -173.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.42 148.74 27.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.65 -64.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 176.018 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.757 0.313 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.55 109.9 18.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.055 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.9 t -127.94 107.84 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 65.49 19.05 11.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.879 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -105.25 141.82 36.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 pt -138.58 154.56 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -111.84 124.25 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 170.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.7 t -107.59 137.61 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 -174.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -87.67 117.05 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.48 HG22 HD11 ' A' ' 72' ' ' ILE . 59.9 t -96.73 114.98 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -105.14 116.13 31.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -176.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -102.14 163.74 17.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 167.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -52.71 -35.75 69.83 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.365 -178.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.8 p -123.04 -9.96 8.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -171.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -142.04 160.29 40.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -170.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -137.77 145.36 42.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 172.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -140.68 155.14 46.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.8 m -105.93 137.01 44.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.5 151.6 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.123 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -111.15 122.08 46.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.98 169.79 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.144 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -103.09 142.37 34.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -65.68 -26.1 67.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.6 p -90.73 -8.74 48.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -79.19 156.66 28.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 64.4 p -82.25 166.97 19.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 -176.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.79 -34.71 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.6 p -60.38 -30.79 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -68.37 -40.13 81.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.692 ' O ' HD23 ' A' ' 30' ' ' LEU . 3.5 tt -64.25 -40.28 95.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 174.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.87 -36.69 85.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -57.39 -44.36 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.837 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -62.94 -41.61 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.77 -40.68 89.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 174.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -66.7 -34.24 77.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.34 -42.47 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.108 176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.3 t -72.12 -40.77 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -95.75 -176.88 3.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -121.37 27.99 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.2 m -114.84 129.81 24.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 111.119 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.21 142.81 44.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.23 -34.19 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.75 -21.79 66.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.34 -33.91 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -72.47 134.87 45.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -109.63 133.0 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.817 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.8 tp -117.22 119.81 36.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -174.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -117.76 142.43 47.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.009 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 19.7 t80 -115.33 135.2 54.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 176.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.1 t -28.3 103.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 175.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.67 -81.99 0.6 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.5 mt -97.07 130.66 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.312 . . . . 0.0 111.094 -176.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -74.17 134.98 42.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.28 65.41 9.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.942 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.76 -19.88 26.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -169.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -91.57 109.09 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -65.21 -37.79 88.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 -170.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.35 -5.68 42.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -168.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -74.66 140.1 44.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 97.9 m-20 -75.01 149.9 39.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -172.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.39 -41.27 96.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -61.11 -38.0 84.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -67.63 -30.21 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -79.96 -20.05 46.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.61 28.44 8.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.426 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.93 111.28 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.409 . . . . 0.0 111.149 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.7 p -101.46 -178.95 3.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.119 -171.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.28 -30.4 64.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -110.1 23.86 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -173.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t -53.74 132.13 40.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.842 -175.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -111.36 117.78 34.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.48 HD11 HG22 ' A' ' 10' ' ' VAL . 41.1 pt -121.32 142.52 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.036 -178.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.7 t -110.77 129.83 65.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -119.92 129.98 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -170.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -114.73 139.17 49.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.5 mt -107.94 127.04 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -175.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -100.15 66.44 1.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.0 p -153.55 153.06 31.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.3 mt -105.27 -54.94 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.81 153.93 38.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -130.82 -179.98 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.48 145.88 39.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 178.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -48.17 -49.03 34.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.027 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.773 0.321 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.68 109.61 19.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.2 t -126.49 106.14 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.097 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 64.68 24.58 12.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -177.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -104.9 144.41 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 172.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.3 pt -137.4 154.85 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -113.76 142.85 45.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 170.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.54 135.41 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.5 m -86.55 118.43 25.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.527 HG22 HD11 ' A' ' 72' ' ' ILE . 48.2 t -98.04 114.8 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -177.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.26 115.63 30.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -106.26 157.87 33.9 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.678 0.752 . . . . 0.0 110.86 162.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.67 -24.72 78.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.257 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.3 p -97.33 -29.3 13.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.796 -174.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -165.02 162.67 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -130.78 150.03 52.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -161.57 165.0 29.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.3 p -109.17 150.22 28.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.225 -177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -128.64 151.93 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.068 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -107.08 122.22 46.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.86 169.69 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -90.99 145.7 24.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.28 -34.89 79.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -88.27 -5.41 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -173.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -80.08 158.92 26.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 79.9 p -85.65 172.55 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -65.8 -21.48 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 -175.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -64.24 -32.44 74.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.752 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 m -71.17 -37.33 72.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 173.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD21 HD13 ' A' ' 72' ' ' ILE . 54.6 tp -62.86 -39.24 93.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 172.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -68.4 -36.07 78.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -58.19 -46.05 86.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.83 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.42 -41.27 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.61 -40.63 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 173.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -68.17 -35.35 77.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.7 mt -63.86 -43.09 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.3 t -73.6 -39.17 53.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -94.28 -177.34 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -122.93 22.59 9.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.9 m -112.92 129.92 24.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.734 . . . . 0.0 111.049 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -52.5 143.08 46.51 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.629 2.219 . . . . 0.0 112.346 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.1 -35.86 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.42 -20.97 66.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -100.3 -32.46 10.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -70.49 132.73 45.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -104.85 133.11 50.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.6 tp -118.05 111.07 18.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -173.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -114.6 139.36 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' O ' ' C ' ' A' ' 50' ' ' SER . 28.4 t80 -115.82 135.68 53.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 174.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.2 t -27.7 103.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 174.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.99 -83.47 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.568 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.4 mt -96.01 131.6 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 111.04 -173.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -74.86 136.25 41.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.4 mt -90.21 66.75 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.917 -171.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.71 -18.32 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -166.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -89.32 113.2 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -173.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.66 -31.48 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -174.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -94.8 -9.02 35.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.031 -170.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -83.51 132.3 34.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.854 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.6 m-80 -79.91 157.64 26.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -171.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.82 -40.86 89.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.991 175.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -61.22 -41.49 96.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.46 -29.99 70.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.24 -19.52 50.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.83 28.2 19.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -177.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mm -81.9 121.29 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.971 0.415 . . . . 0.0 111.122 -178.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.6 p -109.86 -170.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 -173.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -78.58 -11.55 59.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -116.21 -1.67 12.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.3 m -63.81 134.68 55.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.785 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -110.13 129.29 55.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.838 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.527 HD11 HG22 ' A' ' 10' ' ' VAL . 42.3 pt -117.37 143.49 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.083 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -108.25 125.89 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -120.07 134.37 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -169.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.81 140.98 48.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.0 mt -104.96 136.04 45.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -177.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -122.73 72.7 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.0 p -155.49 153.06 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.851 172.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.0 mt -104.99 -55.59 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.09 157.85 27.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -116.45 175.07 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.87 153.82 32.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.37 -61.98 2.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 175.671 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.771 0.32 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.7 102.7 13.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.3 t -125.0 109.35 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 65.05 24.97 12.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.9 149.3 28.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.841 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.7 pt -135.89 149.85 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -98.93 142.62 30.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -125.07 128.9 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.7 m -95.06 113.97 25.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -100.07 116.46 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -174.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -100.04 124.73 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -106.81 164.48 14.75 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.583 0.706 . . . . 0.0 110.912 172.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.08 -38.75 80.94 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 -175.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -120.17 -9.01 9.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -170.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -151.41 165.04 35.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -171.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -131.43 155.16 47.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -159.04 142.84 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p -107.93 147.98 30.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.187 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.59 162.39 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.088 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -117.2 126.37 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.52 168.47 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -91.75 144.16 25.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -65.35 -32.99 74.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -176.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.0 p -89.83 -6.74 55.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.94 158.13 26.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 67.4 p -90.1 169.96 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 m -65.82 -20.1 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.7 p -62.48 -29.47 70.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.5 m -74.13 -39.36 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.94 -46.86 85.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -69.59 -34.64 74.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.69 -45.12 95.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -67.48 -39.68 85.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.94 -38.02 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 172.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -67.08 -39.18 86.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.78 -40.07 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.2 t -70.73 -38.64 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.077 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -95.03 -175.18 3.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -119.54 18.34 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 174.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 96.7 m -100.97 127.56 31.78 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.536 0.684 . . . . 0.0 111.136 -177.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 74.7 Cg_exo -53.75 140.7 66.68 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.68 -39.78 82.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.15 -21.4 66.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -175.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -101.51 -33.91 9.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -70.13 134.27 47.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -106.74 138.78 42.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HG ' HD12 ' A' ' 54' ' ' LEU . 32.7 tp -120.46 118.11 29.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -169.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -122.68 136.3 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -170.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.583 ' O ' ' C ' ' A' ' 50' ' ' SER . 3.8 t80 -110.56 118.51 36.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 176.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.583 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.7 t -22.04 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.1 -63.77 0.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.3 pt -115.96 148.75 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.353 . . . . 0.0 111.073 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -83.27 141.26 31.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 176.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.442 HD12 ' HG ' ' A' ' 47' ' ' LEU . 85.5 mt -88.95 66.15 7.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.973 -175.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.23 -21.45 25.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -165.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -96.19 111.07 23.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -172.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -31.76 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 -173.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -92.71 -5.88 50.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -169.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -83.05 132.95 35.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.0 m-80 -80.1 155.8 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -169.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.28 -42.38 77.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -62.69 -39.63 94.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.83 -29.28 69.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -74.86 -19.99 59.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.17 25.77 32.96 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 -172.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -84.67 124.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 111.133 -177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.402 ' H ' ' HB2' ' A' ' 70' ' ' SER . 40.7 p -114.02 -168.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -170.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -77.55 -11.97 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -110.98 11.07 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.402 ' HB2' ' H ' ' A' ' 67' ' ' THR . 30.6 t -64.62 135.41 55.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -172.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -102.61 122.13 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 169.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.0 mm -114.57 124.8 71.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.5 t -99.98 129.09 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 -173.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -108.44 128.23 64.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -111.6 133.53 53.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.2 mt -101.83 126.37 48.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 -173.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -129.75 58.17 1.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 175.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.1 t -146.9 143.02 28.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.3 mt -98.17 -53.68 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.174 174.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -67.04 167.37 11.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 171.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -118.39 162.64 17.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.17 147.69 30.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -51.31 -52.39 45.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 177.884 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.797 0.332 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.26 110.94 22.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.049 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.8 t -126.18 104.94 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 64.84 24.36 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.58 143.03 35.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.4 pt -136.97 152.78 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.103 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -113.64 141.91 46.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 171.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.38 135.23 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.0 m -87.16 118.47 26.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.54 HG22 HD11 ' A' ' 72' ' ' ILE . 57.3 t -96.49 115.33 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -177.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 98.1 mttt -105.1 115.62 30.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -177.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -106.28 157.75 34.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.736 . . . . 0.0 110.828 160.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -60.92 -24.14 78.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.0 p -98.02 -29.72 13.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -165.22 161.96 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.451 ' HG2' ' HA ' ' A' ' 11' ' ' LYS . 86.3 mt-30 -130.59 152.21 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 176.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -161.07 164.52 30.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 176.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m -109.49 142.3 40.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.174 -174.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.7 m -124.33 151.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.102 177.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -108.2 123.56 48.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.4 169.37 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 8.8 t70 -95.84 148.44 22.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 178.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.42 -33.55 76.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.6 p -84.32 -5.04 59.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -174.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG3' ' HB3' ' A' ' 22' ' ' ASP . 94.6 mt-10 -84.11 158.26 21.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 30.0 p -85.79 177.42 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 174.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.05 -18.08 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.076 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -55.3 -44.3 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.7 p -71.0 -33.59 70.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.403 HD21 HD13 ' A' ' 72' ' ' ILE . 56.1 tp -64.8 -40.07 94.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.964 174.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.05 -37.55 81.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -57.31 -46.77 82.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -64.66 -41.43 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.03 -39.92 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 173.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -66.23 -35.82 81.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.31 -42.7 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.112 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.9 t -75.06 -39.97 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -92.87 -179.99 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -173.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -115.34 18.66 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.0 m -112.15 129.8 23.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.564 0.697 . . . . 0.0 111.134 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -53.47 144.13 52.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.1 -37.03 76.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.96 -20.71 66.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -100.44 -36.58 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -65.93 132.49 48.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -105.18 138.99 40.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.4 tp -126.73 111.54 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -167.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -113.35 139.1 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.5 ' O ' ' C ' ' A' ' 50' ' ' SER . 23.9 t80 -116.63 135.13 54.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 175.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.5 ' C ' ' O ' ' A' ' 49' ' ' TYR . 47.6 t -26.14 102.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.851 175.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.85 -80.0 0.55 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.8 mt -97.25 131.79 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.839 0.352 . . . . 0.0 111.106 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -74.81 138.26 42.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.7 mt -91.54 66.22 5.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -170.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.69 -25.25 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -168.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -91.68 113.19 25.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.55 -30.01 68.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.802 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -96.03 -8.94 32.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -170.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -79.97 133.18 36.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 74.3 m-80 -76.07 155.5 34.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -169.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.8 -40.53 80.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -62.08 -40.8 97.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 177.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.98 -30.53 71.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -80.02 -18.98 48.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.02 27.52 13.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.511 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -80.98 119.09 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.953 0.406 . . . . 0.0 111.099 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.0 p -112.27 -169.9 1.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.237 -174.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -78.15 -6.02 53.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -113.93 13.41 18.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.5 t -53.24 126.25 20.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.869 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -109.84 114.78 28.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.828 173.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.54 HD11 HG22 ' A' ' 10' ' ' VAL . 44.3 pt -119.19 142.39 34.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.2 t -107.96 126.79 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 175.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.7 t -119.84 134.28 63.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.12 -169.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -116.34 139.55 50.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.0 mt -102.26 135.21 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -125.31 66.33 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.1 p -158.85 159.6 35.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 173.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.3 mt -108.34 -55.16 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -72.23 149.62 44.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.4 mtm180 -101.42 153.32 19.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.93 150.95 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.031 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.32 -62.87 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.3 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 173.676 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.12 175.02 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 m -70.13 -17.14 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -89.03 82.67 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -171.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -93.64 149.91 20.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.824 -175.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 pt -137.47 158.54 34.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 173.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -103.97 140.85 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 171.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -125.79 132.61 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.073 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -96.36 114.48 26.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.423 HG12 ' CE1' ' A' ' 12' ' ' PHE . 47.0 t -112.01 121.22 64.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -111.85 123.19 49.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 -169.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.613 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 1.2 m-85 -108.77 163.55 16.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.952 171.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.613 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 41.6 Cg_endo -63.78 -27.49 67.93 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.422 176.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 98.8 p -97.3 -26.39 14.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -175.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -167.25 151.8 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.957 -172.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -127.64 149.39 50.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 175.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -164.95 169.18 16.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -112.57 153.07 28.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.4 m -130.17 159.64 42.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -107.87 118.44 36.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 177.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 m -136.06 174.13 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 -174.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -104.57 138.45 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 176.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.79 -23.58 64.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -176.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.7 p -92.91 -8.71 42.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -79.14 156.26 28.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 173.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 60.9 p -77.73 163.16 26.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 54' ' ' LEU . 9.9 p -63.57 -21.82 29.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -177.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p -66.79 -27.43 67.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.9 m -68.73 -38.8 80.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.3 tp -62.68 -40.98 98.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 172.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.59 -36.76 85.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.47 -42.89 99.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 175.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.4 -41.84 97.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.0 mt -62.69 -39.97 86.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -67.17 -34.23 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -69.73 -45.9 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.95 -45.66 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -98.38 143.8 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -85.21 63.06 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -152.16 140.0 13.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 111.185 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.08 147.47 73.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.85 -34.03 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.07 -26.26 67.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -89.19 -37.27 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.461 ' SD ' ' HB2' ' A' ' 47' ' ' LEU . 19.3 tmm? -71.75 128.89 37.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 177.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -105.42 122.33 45.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.461 ' HB2' ' SD ' ' A' ' 45' ' ' MET . 41.6 tp -118.13 119.46 34.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -172.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -138.28 148.91 45.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -126.11 137.48 53.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -173.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.3 t -38.84 129.75 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.38 -96.85 2.26 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.441 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.3 mt -94.24 128.49 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.117 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -72.61 134.86 45.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 177.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.444 ' HB3' HG21 ' A' ' 27' ' ' VAL . 62.2 mt -85.9 61.87 7.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -172.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.64 -13.6 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -173.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -101.87 110.98 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.35 -29.99 71.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -173.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -87.29 -7.36 57.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -165.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -82.02 145.96 29.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.575 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 75.2 m-80 -84.45 156.04 21.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.86 -43.54 98.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.93 -35.18 79.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 173.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -64.04 -32.36 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -77.97 -16.2 58.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.93 24.36 45.44 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.553 -174.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 92.6 mt -82.02 126.19 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.077 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.0 p -109.04 -177.57 3.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -171.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -72.71 -12.89 61.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -111.65 -3.72 14.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.6 m -68.8 140.04 55.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.54 129.9 55.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 68.6 mt -117.63 131.28 70.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -177.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.37 136.21 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -166.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.0 t -112.2 136.58 47.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.179 -176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -107.65 133.1 52.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 171.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.8 mt -105.71 133.97 49.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.98 -174.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.3 131.23 47.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.88 173.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 93.2 p -80.15 158.55 26.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 79' ' ' ILE . 29.5 mt 54.93 44.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.156 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.7 p30 -97.82 -169.04 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.999 -173.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -146.59 130.07 16.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.95 159.29 40.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -84.54 153.49 23.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.143 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.749 0.309 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.95 56.33 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 56.7 t -130.84 135.44 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -174.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -96.89 -19.55 18.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -174.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -97.21 156.82 16.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.7 mt -130.11 141.02 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 172.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -95.05 136.73 35.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.3 t -123.17 131.75 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -94.92 119.93 34.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.063 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -102.09 114.58 41.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -109.48 115.98 30.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -169.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -105.43 159.82 28.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.669 0.747 . . . . 0.0 110.846 167.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -63.08 -25.1 73.29 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.754 2.303 . . . . 0.0 112.311 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -117.23 -12.38 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -171.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -157.03 165.69 35.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -151.55 141.48 22.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -157.35 163.66 38.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.8 p -114.38 150.81 34.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.16 160.21 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -112.71 126.72 55.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.47 166.84 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 8.8 t70 -94.33 147.76 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 172.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -68.08 -26.49 65.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -176.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.4 p -91.58 -7.13 51.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -173.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.497 ' HG2' ' HB3' ' A' ' 22' ' ' ASP . 65.9 mm-40 -79.98 154.55 28.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 177.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 81.0 p -83.53 165.02 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.072 -178.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.76 -23.57 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -61.01 -38.58 86.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 175.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -65.07 -38.31 90.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.9 tp -62.27 -43.32 99.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 175.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.6 -39.81 92.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.778 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.95 -45.93 90.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.863 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -68.82 -34.41 75.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.18 -40.01 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.023 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.579 ' O ' ' HD2' ' A' ' 35' ' ' HIS . 11.1 t-160 -64.16 -36.14 83.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.8 -39.18 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.13 -39.28 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -90.1 -179.52 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -119.82 39.42 3.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 176.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.3 t -134.93 140.06 33.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 111.2 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.58 145.34 75.94 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.0 pt -66.39 -22.99 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.107 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.84 -25.85 63.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -102.02 -36.33 8.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.7 ttp -64.21 135.23 56.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -106.82 135.9 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.8 tp -117.06 119.43 35.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -122.1 135.75 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.016 -172.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' SER . 57.7 m-85 -102.55 126.68 49.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 171.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' TYR . 40.5 t -33.88 102.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 173.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.19 -60.35 0.33 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' TYR . 93.2 mt -115.69 134.45 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.846 0.355 . . . . 0.0 111.108 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -91.23 111.88 23.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.7 tp -83.66 115.66 22.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.67 6.13 21.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -96.9 106.18 18.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.93 -27.31 68.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -176.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -91.04 -2.68 57.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -170.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -69.99 127.34 32.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 68.7 m-80 -78.34 149.63 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.89 -43.47 83.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -173.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -63.65 -40.36 96.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.52 -30.69 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -77.94 -24.77 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.43 39.28 6.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 169.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.3 pt -83.26 151.5 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.897 0.379 . . . . 0.0 111.05 173.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.4 p -116.54 -179.97 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -175.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.72 -28.03 65.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.779 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -106.18 19.71 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.6 t -61.21 128.38 36.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -107.08 116.57 32.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 173.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.7 mt -120.73 131.3 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -175.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -100.88 129.25 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.206 -172.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.32 130.97 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -112.0 143.67 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.77 132.77 46.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -95.97 144.31 26.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 171.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.2 t -60.01 120.67 10.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.9 pt -129.04 179.28 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -105.61 102.13 11.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -114.57 30.04 7.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.52 154.87 41.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 56.59 36.58 27.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 178.098 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.795 0.331 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.0 -26.94 59.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.118 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.5 m -129.64 148.12 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.123 -175.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.27 63.99 6.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.65 156.11 18.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 175.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.7 pt -128.46 156.98 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -119.84 139.9 51.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.04 149.34 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -91.08 116.86 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.18 114.48 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -106.99 118.38 36.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -169.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 72.4 m-85 -106.05 156.95 35.88 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.644 0.735 . . . . 0.0 110.894 165.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.2 -24.99 76.64 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.4 p -99.2 -25.0 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 63.8 pttt -165.53 160.8 18.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -174.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -131.61 150.63 52.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -157.66 161.31 38.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -102.54 150.0 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.097 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.9 t -127.73 140.7 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.068 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -95.97 116.35 28.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.926 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.9 m -134.99 170.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 -175.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -108.21 145.22 34.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 173.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -65.05 -25.15 67.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.8 p -92.44 -7.04 48.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -79.09 155.83 28.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 74.8 p -84.77 165.01 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -177.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.45 -29.94 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 73.8 p -60.03 -30.04 68.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.82 -179.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 m -67.98 -40.1 83.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.76 -41.04 96.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 173.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.4 -44.78 89.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.948 177.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -57.1 -45.04 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -63.33 -39.25 94.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.97 -41.96 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -66.95 -29.14 68.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.65 -39.25 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.4 t -79.09 -44.75 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.074 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -126.33 110.7 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -76.26 70.11 2.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.955 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 99.8 m -131.78 134.27 25.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.541 0.686 . . . . 0.0 111.201 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 87.5 Cg_exo -54.06 138.9 71.24 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.602 2.202 . . . . 0.0 112.42 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.6 tp -67.22 -23.56 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.77 -23.1 67.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -100.68 -37.53 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.1 mtp -74.9 144.96 43.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -108.36 131.18 55.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.4 tp -114.61 106.32 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -115.19 137.31 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' SER . 30.4 t80 -114.04 139.31 49.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 174.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' TYR . 48.0 t -28.22 102.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 175.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.87 -73.6 0.63 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.499 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.4 mt -100.18 131.32 47.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.793 0.33 . . . . 0.0 111.127 -175.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -74.79 135.96 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 172.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.41 69.7 10.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.968 -170.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.12 -35.05 71.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -173.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -95.11 109.73 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -170.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 28' ' ' SER . 92.0 m-20 -67.19 -29.99 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -176.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -92.53 -5.78 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 -171.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -78.48 140.33 38.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.805 174.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 97.8 m-20 -74.98 151.03 38.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -173.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.21 -40.2 93.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -64.28 -39.18 93.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.79 -30.82 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -78.38 -19.96 52.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 176.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.57 30.32 19.02 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -177.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 49' ' ' TYR . 96.5 mt -86.61 122.29 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 111.089 -175.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.6 p -104.54 176.48 5.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -88.33 -0.6 57.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -111.24 -29.87 7.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.1 p -74.09 167.66 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -116.9 145.49 43.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.797 -167.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 90.6 mt -116.7 125.18 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.7 t -106.98 124.97 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -174.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.9 t -122.37 129.53 75.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 -175.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -105.48 127.54 53.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.2 tp -95.82 125.49 40.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -171.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -130.06 90.01 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.807 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.4 m -82.6 -20.43 36.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 79' ' ' ILE . 25.5 mm 55.13 51.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 177.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -95.05 9.57 38.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.27 -61.05 2.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.18 70.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -163.06 150.52 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.638 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.771 0.319 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.95 108.4 19.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.7 t -124.89 106.99 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 65.09 25.44 12.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 -177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.62 144.1 33.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.5 pt -136.47 153.52 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.195 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -102.93 149.22 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.7 t -126.58 132.08 70.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.9 m -88.84 119.01 28.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.174 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.51 HG22 HD11 ' A' ' 72' ' ' ILE . 42.1 t -100.14 114.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -174.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.77 115.46 30.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.989 -175.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.416 ' HB3' ' HD2' ' A' ' 13' ' ' PRO . 94.5 m-85 -105.54 159.62 28.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.738 . . . . 0.0 110.886 164.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 21.4 Cg_endo -60.99 -26.97 84.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.227 -178.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -121.37 -8.07 9.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.843 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -145.14 148.79 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -172.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -141.04 146.13 36.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -167.76 165.54 14.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.8 p -111.37 150.04 30.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.188 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.81 157.75 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -112.26 124.21 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.9 m -135.07 168.19 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.159 -177.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -90.4 144.93 25.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -65.18 -33.52 76.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.7 p -90.11 -6.44 55.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -172.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -79.93 158.77 26.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 60' ' ' ASN . 66.9 p -86.47 169.42 12.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.04 -22.38 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.9 p -65.74 -30.58 71.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.2 m -72.28 -36.75 69.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.418 HD21 HD13 ' A' ' 72' ' ' ILE . 61.7 tp -61.82 -39.64 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.848 170.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.0 -36.85 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 176.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -58.49 -45.31 88.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.816 177.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -63.35 -39.62 95.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.64 -41.41 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -66.16 -36.12 82.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.92 -42.53 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.08 -40.06 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -94.96 -178.85 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -175.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -118.16 24.91 10.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.7 m -115.74 128.5 25.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.504 0.668 . . . . 0.0 111.108 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -53.08 143.4 50.87 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.743 2.295 . . . . 0.0 112.317 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.07 -35.14 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.93 -22.75 66.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -99.57 -37.68 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.28 133.54 51.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -107.03 138.32 43.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.53 118.52 28.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -171.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -123.35 141.79 51.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.926 175.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.456 ' O ' ' C ' ' A' ' 50' ' ' SER . 21.9 t80 -115.77 136.73 52.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 49' ' ' TYR . 45.6 t -30.83 103.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.844 175.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.38 -82.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.0 mt -95.13 129.88 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.338 . . . . 0.0 111.095 -176.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -74.12 133.12 42.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.6 mt -85.16 64.6 8.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.963 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.49 -24.85 22.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -169.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -90.63 111.32 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -172.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -67.33 -28.95 68.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -173.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -94.19 -8.46 39.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -172.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -82.28 135.06 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 73.3 m-20 -79.13 156.69 28.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -170.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.41 -41.48 93.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -60.96 -41.74 96.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.77 -30.7 71.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.74 -19.92 47.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.937 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.08 29.65 14.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.488 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.1 mm -81.86 123.3 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.391 . . . . 0.0 111.124 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.1 p -110.23 -177.38 3.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -174.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.88 -25.04 67.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -112.9 5.61 17.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -170.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 m -65.45 139.44 58.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.818 -176.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -112.31 129.82 56.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.51 HD11 HG22 ' A' ' 10' ' ' VAL . 46.2 pt -117.15 143.75 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.43 125.27 62.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -121.3 135.86 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -170.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -116.16 139.51 50.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.985 -178.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.7 mt -101.57 135.15 43.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -125.47 69.8 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.2 p -163.15 158.91 22.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 176.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.5 mt -107.76 -54.96 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.99 155.2 35.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -114.39 175.04 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.03 153.17 48.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.75 -64.54 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 175.326 . . . . . . . . 0 0 . 1 stop_ save_